Product Name

  • Name

    1,4,7,10-TETRAAZACYCLODODECANE TETRAHYDROCHLORIDE

  • EINECS
  • CAS No. 10045-25-7
  • Article Data10
  • CAS DataBase
  • Density
  • Solubility
  • Melting Point 297-300 °C
  • Formula C8H24Cl4N4
  • Boiling Point 283.8 °C at 760 mmHg
  • Molecular Weight 318.117
  • Flash Point 129.5 °C
  • Transport Information
  • Appearance white crystalline solid
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 10045-25-7 (1,4,7,10-TETRAAZACYCLODODECANE TETRAHYDROCHLORIDE)
  • Hazard Symbols IrritantXi
  • Synonyms 1,4,7,10-Tetraazacyclododecane, tetrahydrochloride (9CI);
  • PSA 48.12000
  • LogP 2.88160

Synthetic route

cyclen-glyoxal
74199-09-0, 79236-92-3

cyclen-glyoxal

1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

Conditions
ConditionsYield
With hydroxylamine hydrochloride In methanol for 36h; Heating;87%
With hydrogenchloride; hydrazine hydrate In water pH=3 - Ca. 3.5; Solvent; Reflux;38 g
cyclen tetratosylate
52667-88-6

cyclen tetratosylate

1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

Conditions
ConditionsYield
With hydrogenchloride; sulfuric acid; Amberlyst A26 at 120℃; for 48h;66%
Stage #1: cyclen tetratosylate With sulfuric acid at 150℃; for 1h;
Stage #2: With hydrogenchloride In ethanol		48%
With hydrogenchloride; sulfuric acid 1.) 100 deg C, 48 h; Yield given. Multistep reaction;
With hydrogenchloride; sulfuric acid 1.) 100 deg C, 70 h;7.2 g
Stage #1: cyclen tetratosylate With sulfuric acid In water at 80℃; for 24h;
Stage #2: With hydrogenchloride In water
8b,8c-dimethyl-decahydro-2a,4a,6a,8a-tetraaza-cyclopenta[fg]acenaphthylene

8b,8c-dimethyl-decahydro-2a,4a,6a,8a-tetraaza-cyclopenta[fg]acenaphthylene

1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

Conditions
ConditionsYield
With hydrogenchloride In ethanol at 60℃; for 48h; Yield given;
cis-13-1,4,7,10-tetraazatetracyclo<5.5.2.04,14010,13>tetradecane
74199-09-0, 79236-92-3

cis-13-1,4,7,10-tetraazatetracyclo<5.5.2.04,14010,13>tetradecane

1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

Conditions
ConditionsYield
With hydrogenchloride; hydrazine hydrate at 100℃; for 20h; Yield given;
triethylentetramine
112-24-3

triethylentetramine

1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 90 percent / acetonitrile / 2 h / -7 °C
2: 60 percent / K2CO3 / acetonitrile / 48 h / 60 °C
3: aq. HCl / ethanol / 48 h / 60 °C
View Scheme
Multi-step reaction with 3 steps
1: potassium carbonate / water; acetone / 5 h / -2 - 0 °C
2: potassium carbonate / N,N-dimethyl-formamide / 24 h / 35 °C
3: sulfuric acid / water / 24 h / 80 °C
View Scheme
5a,8b-dimethyloctahydro-2a,5,6,8a-tetraazaacenaphthylene
214195-92-3

5a,8b-dimethyloctahydro-2a,5,6,8a-tetraazaacenaphthylene

1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 60 percent / K2CO3 / acetonitrile / 48 h / 60 °C
2: aq. HCl / ethanol / 48 h / 60 °C
View Scheme
N,N',N'',N'''-tetrakis-(p-tolylsulphonyl)-triethylenetetramine
55442-07-4

N,N',N'',N'''-tetrakis-(p-tolylsulphonyl)-triethylenetetramine

1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 1.) sodium hydride / 1.) DMF, 2.) DMF, 110 deg C, 6 h
2: 1.) sulphuric acid, 2.) hydrochloric acid / 1.) 100 deg C, 48 h
View Scheme
Multi-step reaction with 2 steps
1: potassium carbonate / N,N-dimethyl-formamide / 24 h / 35 °C
2: sulfuric acid / water / 24 h / 80 °C
View Scheme
3H,6H-2a,5,6,8a-octahydrotetraaza-acenaphthylene
215540-27-5

3H,6H-2a,5,6,8a-octahydrotetraaza-acenaphthylene

1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium carbonate; potassium iodide / acetonitrile / 3.67 h / 40 - 75 °C / Inert atmosphere
2: hydrogenchloride; hydrazine hydrate / water / pH 3 - Ca. 3.5 / Reflux
View Scheme
8b-methyldecahydro-2a,4a,6a,8a-tetraazacyclopenta[fg]acenaphthylene

8b-methyldecahydro-2a,4a,6a,8a-tetraazacyclopenta[fg]acenaphthylene

1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

Conditions
ConditionsYield
With hydrogenchloride In water at 80 - 100℃; for 3h;301 g
1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

chloroformic acid ethyl ester
541-41-3

chloroformic acid ethyl ester

1,7-bis(ethoxycarbonyl)-1,4,7,10-tetraazacyclododecane
162148-43-8

1,7-bis(ethoxycarbonyl)-1,4,7,10-tetraazacyclododecane

Conditions
ConditionsYield
With sodium hydroxide98%
1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

1,4,7,10-tetraazacyclododecan
294-90-6

1,4,7,10-tetraazacyclododecan

Conditions
ConditionsYield
With hydrogenchloride95%
With potassium hydroxide In water at 0 - 10℃;91.3%
With potassium hydroxide
With sodium hydroxide In toluene at 40℃; for 1h; Reflux;13.77 g
With sodium hydroxide In water; toluene12 g
1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

methyl chloroformate
79-22-1

methyl chloroformate

1,7-bis(methoxycarbonyl)-1,4,7,10-tetraazacyclododecane
162148-42-7

1,7-bis(methoxycarbonyl)-1,4,7,10-tetraazacyclododecane

Conditions
ConditionsYield
With sodium hydroxide93%
Vinyl chloroformate
5130-24-5

Vinyl chloroformate

1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

1,7-bis(vinyloxycarbonyl)-1,4,7,10-tetraazacyclododecane

1,7-bis(vinyloxycarbonyl)-1,4,7,10-tetraazacyclododecane

Conditions
ConditionsYield
With sodium hydroxide90%
1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

benzyl chloroformate
501-53-1

benzyl chloroformate

A

1,4,7,10-tetraaza-cyclododecane-1,7-dicarboxylic acid dibenzyl ester
162148-45-0

1,4,7,10-tetraaza-cyclododecane-1,7-dicarboxylic acid dibenzyl ester

B

1,4,7,10-tetrakis(benzyloxycarbonyl)-1,4,7,10-tetraazacyclododecane

1,4,7,10-tetrakis(benzyloxycarbonyl)-1,4,7,10-tetraazacyclododecane

Conditions
ConditionsYield
With hydrogenchloride In 1,4-dioxane for 16h;A 88%
B 10%
...Expand
4-nitrophenyl 2-(2-(dioctylamino)-2-oxoethoxy)acetate
1354344-55-0

4-nitrophenyl 2-(2-(dioctylamino)-2-oxoethoxy)acetate

1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

2,2′,2′′,2′′′-(((1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetrakis (2-oxoethane-2,1-diyl))tetrakis(oxy))tetrakis(N,N-dioctylacetamide)

2,2′,2′′,2′′′-(((1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetrakis (2-oxoethane-2,1-diyl))tetrakis(oxy))tetrakis(N,N-dioctylacetamide)

Conditions
ConditionsYield
With triethylamine In toluene for 15h; Reflux;81%
1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

cucurbit[8]uril
259886-51-6

cucurbit[8]uril

C48H48N32O16*C8H20N4*4ClH

C48H48N32O16*C8H20N4*4ClH

Conditions
ConditionsYield
In water at 100℃; for 2h;73%
chloroacetic acid cholesterylester
3464-50-4

chloroacetic acid cholesterylester

1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

C124H204N4O8*ClNa

C124H204N4O8*ClNa

Conditions
ConditionsYield
With sodium carbonate In chloroform; acetonitrile for 7h; Heating;71%
Chloressigsaeure-fluorenyl-(9)-ester
14159-51-4

Chloressigsaeure-fluorenyl-(9)-ester

1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

1,4,7,10-tetrakis[(fluorenoxycarbonyl)methyl]-1,4,7,10-tetraazacyclododecane-NaCl complex

1,4,7,10-tetrakis[(fluorenoxycarbonyl)methyl]-1,4,7,10-tetraazacyclododecane-NaCl complex

Conditions
ConditionsYield
With sodium carbonate In acetonitrile Heating;70%
formaldehyd
50-00-0

formaldehyd

phenylphosphinic acid
1779-48-2

phenylphosphinic acid

1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayltetramethylenetetrakis(phenylphosphinic acid)
138149-64-1

1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayltetramethylenetetrakis(phenylphosphinic acid)

Conditions
ConditionsYield
In hydrogenchloride at 100℃; for 2.5h; Condensation;65%
...Expand
manganese(II) chloride tetrahydrate

manganese(II) chloride tetrahydrate

1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

di-μ-oxo-bis(1,4,7,10-tetraazacyclododecane)dimanganese(III,IV) chloride lithium chloride pentahydrate

di-μ-oxo-bis(1,4,7,10-tetraazacyclododecane)dimanganese(III,IV) chloride lithium chloride pentahydrate

Conditions
ConditionsYield
With LiOH; LiCl In ethanol; water (NHCH2CH2)4*4HCl dissolved in aq. LiOH; ethanol added; MnCl2*4H2O added; air bubbled; LiCl (ethanol) added; solvent slowly evapd.; filtered off; washed (ethanol); H2O added to filtrate; evapd.; elem.anal.;64%
tris(carbonato)cobaltate(III)(3-)

tris(carbonato)cobaltate(III)(3-)

1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

sodium perchlorate

sodium perchlorate

{Co(CO3)(1,4,7,10-tetraazacyclododecane)}ClO4

{Co(CO3)(1,4,7,10-tetraazacyclododecane)}ClO4

Conditions
ConditionsYield
In not given treatment of a tricarbonatocobaltate soln. with an equivalent amt. of C8H20N4*4HCl; concn.; removal of salts; addn. of aq. NaClO4 and ethanol to the filtrate;;60%
...Expand
manganese(II) nitrate hexahydrate

manganese(II) nitrate hexahydrate

1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

di-μ-oxo-bis(1,4,7,10-tetraazacyclododecane)dimanganese(III,IV) nitrate

di-μ-oxo-bis(1,4,7,10-tetraazacyclododecane)dimanganese(III,IV) nitrate

Conditions
ConditionsYield
With LiOH In ethanol; water (NHCH2CH2)4*4HCl dissolved in aq. LiOH; ethanol added; Mn(NO3)2*6H2O added; air bubbled; evapd. to moist mass; treated with acetone; filtered; washed (acetone); elem.anal.;60%
formaldehyd
50-00-0

formaldehyd

1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrakis(methylene phosphonic acid)
91987-74-5

1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrakis(methylene phosphonic acid)

Conditions
ConditionsYield
With hydrogenchloride; phosphonic Acid In water for 1h; Heating;54%
With hydrogenchloride; phosphonic Acid for 5h; Heating;37.1%
2-chloro-N-ethylacetamide
105-35-1

2-chloro-N-ethylacetamide

1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

1,4,7,10-tetrakis[(ethylcarbamoyl)methyl]-1,4,7,10-tetraazacyclododecane-NaCl complex

1,4,7,10-tetrakis[(ethylcarbamoyl)methyl]-1,4,7,10-tetraazacyclododecane-NaCl complex

Conditions
ConditionsYield
With sodium carbonate In acetonitrile Heating;53%
1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

1-[N-(tert-butoxycarbonyl)amino]-2-[N-(chloroacetyl)amino]ethane
149979-14-6

1-[N-(tert-butoxycarbonyl)amino]-2-[N-(chloroacetyl)amino]ethane

1,4,7-tris(2-(tert-butoxycarbonyl)-2-aminoethylamidemethyl)-1,4,7,10-tetraazacyclododecane
1315468-75-7

1,4,7-tris(2-(tert-butoxycarbonyl)-2-aminoethylamidemethyl)-1,4,7,10-tetraazacyclododecane

Conditions
ConditionsYield
Stage #1: 1,4,7,10-tetraazacyclododecane tetrahydrochloride With N-ethyl-N,N-diisopropylamine In acetonitrile at 40℃; for 0.0833333h;
Stage #2: 1-[N-(tert-butoxycarbonyl)amino]-2-[N-(chloroacetyl)amino]ethane In acetonitrile at 80℃; for 9h;		41%
1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

C18H17NO5S

C18H17NO5S

C59H59N7O6

C59H59N7O6

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In acetonitrile for 72h; Inert atmosphere; Reflux;41%
1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

2-Chloro-N,N-diethylacetamide
2315-36-8

2-Chloro-N,N-diethylacetamide

1,4,7,10-tetrakis(N,N-diethylacetamido)-1,4,7,10-tetraazacyclododecane
136599-72-9

1,4,7,10-tetrakis(N,N-diethylacetamido)-1,4,7,10-tetraazacyclododecane

Conditions
ConditionsYield
40%
C101H83BrO6

C101H83BrO6

1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

C412H348N4O24

C412H348N4O24

Conditions
ConditionsYield
Stage #1: 1,4,7,10-tetraazacyclododecane tetrahydrochloride With 1-methyl-pyrrolidin-2-one; caesium carbonate at 130℃; for 5h; Inert atmosphere;
Stage #2: C101H83BrO6 With 1-methyl-pyrrolidin-2-one for 24h; Inert atmosphere; Reflux;		37%
1,1'-(((5-(bromomethyl)-1,3-phenylene)bis(oxy))bis(butane-4,1-diyl))dipyrene

1,1'-(((5-(bromomethyl)-1,3-phenylene)bis(oxy))bis(butane-4,1-diyl))dipyrene

1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

C196H172N4O8

C196H172N4O8

Conditions
ConditionsYield
Stage #1: 1,4,7,10-tetraazacyclododecane tetrahydrochloride With 1-methyl-pyrrolidin-2-one; caesium carbonate at 130℃; for 5h; Inert atmosphere;
Stage #2: 1,1'-(((5-(bromomethyl)-1,3-phenylene)bis(oxy))bis(butane-4,1-diyl))dipyrene With 1-methyl-pyrrolidin-2-one at 130℃; for 24h; Inert atmosphere;		36%
1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

1-bromo-4-(1-pyrenyl)butane
117846-05-6

1-bromo-4-(1-pyrenyl)butane

C88H84N4

C88H84N4

Conditions
ConditionsYield
Stage #1: 1,4,7,10-tetraazacyclododecane tetrahydrochloride With caesium carbonate In acetonitrile for 5h; Inert atmosphere; Reflux;
Stage #2: 1-bromo-4-(1-pyrenyl)butane In acetonitrile for 24h; Inert atmosphere; Reflux;		30%
formaldehyd
50-00-0

formaldehyd

1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayltetramethylenetetrakis(phosphinic acid)
164858-92-8

1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayltetramethylenetetrakis(phosphinic acid)

Conditions
ConditionsYield
With hypophosphorous acid In water at 40℃; for 3h;29%
cobalt(II) chloride hexahydrate

cobalt(II) chloride hexahydrate

1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

cis-dichloro(1,4,7,10-tetra-azacyclododecane)cobalt(III) chloride
15654-20-3

cis-dichloro(1,4,7,10-tetra-azacyclododecane)cobalt(III) chloride

Conditions
ConditionsYield
With air In methanol Li(OH)*H2O was added to suspn. of ligand in anhyd. methanol, soln. of CoCl2*6H2O in methanol was added and methanol-saturated air was passed through soln. for 1 h, soln. filtered and warmed to boiling point for 10 min; ppt. filtered off, washed with methanol and diethyl ether, dried; elem.anal.;25%
1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

Chloro-acetic acid (R)-indan-1-yl ester

Chloro-acetic acid (R)-indan-1-yl ester

1,4,7,10-tetrakis{[(R)-1-indanoxycarbonyl]methyl}-1,4,7,10-tetraazacyclododecane-NaCl complex

1,4,7,10-tetrakis{[(R)-1-indanoxycarbonyl]methyl}-1,4,7,10-tetraazacyclododecane-NaCl complex

Conditions
ConditionsYield
With sodium carbonate In acetonitrile Heating;24%
1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

Chloro-acetic acid (R)-(1,2,3,4-tetrahydro-naphthalen-1-yl) ester

Chloro-acetic acid (R)-(1,2,3,4-tetrahydro-naphthalen-1-yl) ester

1,4,7,10-tetrakis{[(R)-tetrahydro-1-naphthoxycarbonyl]methyl}-1,4,7,10-tetraazacyclododecane-NaCl complex

1,4,7,10-tetrakis{[(R)-tetrahydro-1-naphthoxycarbonyl]methyl}-1,4,7,10-tetraazacyclododecane-NaCl complex

Conditions
ConditionsYield
With sodium carbonate In acetonitrile Heating;23%
1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

(O-(cyclopentyl))chloroacetate

(O-(cyclopentyl))chloroacetate

1,4,7,10-tetrakis[(cyclopentoxycarbonyl)methyl]-1,4,7,10-tetraazacyclododecane-NaCl complex

1,4,7,10-tetrakis[(cyclopentoxycarbonyl)methyl]-1,4,7,10-tetraazacyclododecane-NaCl complex

Conditions
ConditionsYield
With sodium carbonate In acetonitrile for 4h; Heating;20%
1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

2-chloromethylpyridine hydrochloride
6959-47-3

2-chloromethylpyridine hydrochloride

1,4,7,10-tetrakis(pyridin-2-ylmethyl)-1,4,7,10-tetraazacyclododecane
185130-32-9

1,4,7,10-tetrakis(pyridin-2-ylmethyl)-1,4,7,10-tetraazacyclododecane

Conditions
ConditionsYield
With sodium hydroxide at 20℃; for 96h; pH=7 - 9;20%
With sodium hydroxide In water at 20℃; for 96h; pH=7 - 9;20%
dichloromethane
75-09-2

dichloromethane

1-(4-pyridyl)pyridinium chloride hydrochloride hydrate

1-(4-pyridyl)pyridinium chloride hydrochloride hydrate

1,4,7,10-tetraazacyclododecane tetrahydrochloride
10045-25-7

1,4,7,10-tetraazacyclododecane tetrahydrochloride

water
7732-18-5

water

1,7-tetra(4-pyridyl)-1,4,7,10-tetraazacyclododecane hydrate dichloromethane solvate

1,7-tetra(4-pyridyl)-1,4,7,10-tetraazacyclododecane hydrate dichloromethane solvate

Conditions
ConditionsYield
Stage #1: 1-(4-pyridyl)pyridinium chloride hydrochloride hydrate; 1,4,7,10-tetraazacyclododecane tetrahydrochloride at 170℃; for 3h; Inert atmosphere; Schlenk technique;
Stage #2: water With sodium hydroxide for 2h; pH=> 11; Reflux;
Stage #3: dichloromethane		19.3%
...Expand

1,4,7,10-Tetraazacyclododecane tetrahydrochloride Specification

The 1,4,7,10-Tetraazacyclododecane, hydrochloride (1:4), with the CAS registry number 10045-25-7, is also known as Tetrahydrochloride. It belongs to the product categories of Analytical Chemistry; Azacrown Ethers; Crown Ethers; Functional Materials; Ligands for Pharmaceutical Research; Macrocycles for Host-Guest Chemistry; Magnetic Resonance Imaging (Chelating Reagents); Ring Systems. This chemical's molecular formula is C8H24Cl4N4 and molecular weight is 318.11. What's more, its systematic name is 1, 4, 7, 10-Tetraazacyclododecane tetrahydrochloride. And the chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 1,4,7,10-Tetraazacyclododecane, hydrochloride (1:4) are: (1)ACD/LogP: -2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6; (4)ACD/LogD (pH 7.4): -6; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Flash Point: 129.5 °C; (14)Enthalpy of Vaporization: 52.28 kJ/mol; (15)Boiling Point: 283.8 °C at 760 mmHg; (16)Vapour Pressure: 0.00309 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.Cl.Cl.Cl.N1CCNCCNCCNCC1
(2) InChI: InChI=1/C8H20N4.4ClH/c1-2-10-5-6-12-8-7-11-4-3-9-1;;;;/h9-12H,1-8H2;4*1H
(3) InChIKey: SBWLCGZEBQGYRP-UHFFFAOYAH

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