Product Name

  • Name

    3-Methoxypropylamine

  • EINECS 226-241-3
  • CAS No. 5332-73-0
  • Article Data23
  • CAS DataBase
  • Density 0.852 g/cm3
  • Solubility Miscible with water
  • Melting Point -65 °C
  • Formula C4H11NO
  • Boiling Point 118.3 °C at 760 mmHg
  • Molecular Weight 89.1374
  • Flash Point 22.8 °C
  • Transport Information UN 2734 8/PG 2
  • Appearance clear, colorless liquid
  • Safety 26-36/37/39-45-16
  • Risk Codes 10-34-35
  • Molecular Structure Molecular Structure of 5332-73-0 (3-Methoxypropylamine)
  • Hazard Symbols CorrosiveC
  • Synonyms Propylamine,3-methoxy- (6CI,7CI,8CI);(3-Methoxypropan-1-yl)amine;1-Amino-3-methoxypropane;1-Methoxy-3-aminopropane;3-Amino-1-methoxypropane;3-Aminopropyl methyl ether;3-Methoxy-1-aminopropane;3-Methoxy-1-propanamine;3-Methoxy-n-propylamine;
  • PSA 35.25000
  • LogP 0.68190

Synthetic route

C6H5CHNCH2CH2CH2OCH3
105427-51-8

C6H5CHNCH2CH2CH2OCH3

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

Conditions
ConditionsYield
Stage #1: C6H5CHNCH2CH2CH2OCH3 With hydrogenchloride In cyclohexane at -10 - 0℃; for 14h;
Stage #2: With sodium carbonate In dichloromethane at -10 - 0℃; for 12h;
99.42%
3-Methoxypropionitrile
110-67-8

3-Methoxypropionitrile

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

Conditions
ConditionsYield
With hydrogen In methanol at 105 - 110℃; under 15001.5 - 22502.3 Torr; for 0.5h; Temperature; Pressure; Solvent; Autoclave;97.2%
With hydrogen at 60 - 98℃; under 1500.15 - 22502.3 Torr; for 6h; Temperature;95%
With hydrogenchloride; platinum(IV) oxide; hydrogen In ethanol under 2280 Torr; for 4h;30%
With ammonia; hydrogen; Rh catalyst under 51485.6 Torr;
3-Methoxypropionitrile
110-67-8

3-Methoxypropionitrile

A

bis-(3-methoxy-propyl)-amine
14676-58-5

bis-(3-methoxy-propyl)-amine

B

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

Conditions
ConditionsYield
With ammonia; nickel at 90℃; Hydrogenation.unter Druck;
With nickel at 110℃; Hydrogenation.unter Druck;
(3-Methoxy-propyl)-[2-methyl-prop-(Z)-ylidene]-amine
22483-13-2

(3-Methoxy-propyl)-[2-methyl-prop-(Z)-ylidene]-amine

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

Conditions
ConditionsYield
In water at 35℃; Equilibrium constant;
2-<(3-methoxy)propyl>-isoindole-1,3(2H)-dione
41081-98-5

2-<(3-methoxy)propyl>-isoindole-1,3(2H)-dione

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

Conditions
ConditionsYield
With hydrazine
dimethyl sulfate
77-78-1

dimethyl sulfate

propan-1-ol-3-amine
156-87-6

propan-1-ol-3-amine

A

3-(Dimethylamino)-1-propyl Methyl Ether
20650-07-1

3-(Dimethylamino)-1-propyl Methyl Ether

B

N-[3-(methoxy)propyl]-N-methylamine
55612-03-8

N-[3-(methoxy)propyl]-N-methylamine

C

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

Conditions
ConditionsYield
With calcium hydride 1.) THF, room temp., 1 h; 2.) room temp., 1 h; Yield given. Multistep reaction;
With sodium hydride 1.) THF, room temp., 1 h; 2.) room temp., 1 h; Yield given. Multistep reaction;
di-tert-butyl dicarbonate
24424-99-5

di-tert-butyl dicarbonate

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

tert-butyl (3-methoxypropyl)carbamate
911300-60-2

tert-butyl (3-methoxypropyl)carbamate

Conditions
ConditionsYield
In chloroform for 16h; Heating / reflux;100%
2-hydroxy-3-(1-methyl-1-phenylethyl)benzaldehyde
165450-61-3

2-hydroxy-3-(1-methyl-1-phenylethyl)benzaldehyde

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

C20H25NO2
1096704-38-9

C20H25NO2

Conditions
ConditionsYield
In ethanol at 20℃; for 6h;100%
thiophene-2-carbaldehyde
98-03-3

thiophene-2-carbaldehyde

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

3-methoxy-N-(thiophen-2-ylmethylene)propanamine
1227253-60-2

3-methoxy-N-(thiophen-2-ylmethylene)propanamine

Conditions
ConditionsYield
at 60℃; for 6h; Inert atmosphere;100%
6-chloro-3H-purine
87-42-3

6-chloro-3H-purine

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

(3-methoxypropyl)(3H-purin-6-yl)amine

(3-methoxypropyl)(3H-purin-6-yl)amine

Conditions
ConditionsYield
In butan-1-ol at 100℃; for 16h;100%
(*S)-3-(3-((7'-chloro-1',1'-dioxidospiro[cyclopropane-1,4'-pyrido[2,3-b][1,4,5]oxathiazepin]-2'(3'H)-yl)methyl)-4-methylphenyl)-3-(8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl)propanoic acid

(*S)-3-(3-((7'-chloro-1',1'-dioxidospiro[cyclopropane-1,4'-pyrido[2,3-b][1,4,5]oxathiazepin]-2'(3'H)-yl)methyl)-4-methylphenyl)-3-(8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl)propanoic acid

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

ethyl (*S)-3-(3-((7'-((3-methoxypropyl)amino)-1‘,1‘-dioxidospiro[cyclopropane-1,4’-pyrido[2,3-b] [1 ,4,5]oxathiazepin]-2’(3’H)-yl)methyl)-4-methylphenyl)-3- (8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a] pyridine-7-yl)propanoate

ethyl (*S)-3-(3-((7'-((3-methoxypropyl)amino)-1‘,1‘-dioxidospiro[cyclopropane-1,4’-pyrido[2,3-b] [1 ,4,5]oxathiazepin]-2’(3’H)-yl)methyl)-4-methylphenyl)-3- (8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a] pyridine-7-yl)propanoate

Conditions
ConditionsYield
In dimethyl sulfoxide at 110℃; for 1h; Microwave irradiation;100%
4-fluoro-N-methyl-3-nitrobenzamide
475216-25-2

4-fluoro-N-methyl-3-nitrobenzamide

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

4-(3-methoxypropylamino)-3-nitrophenyl-N-methylbenzamide
658700-24-4

4-(3-methoxypropylamino)-3-nitrophenyl-N-methylbenzamide

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃;99%
(1R,2S)-2-{[(3aR,4R,9bR)-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinolin-1-yl]carbonyl}cyclohexylamine dihydrochloride

(1R,2S)-2-{[(3aR,4R,9bR)-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinolin-1-yl]carbonyl}cyclohexylamine dihydrochloride

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

N-(3-methoxypropyl)-N'-((1R,2S)-2-{[(3aR,4R,9bR)-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinolin-1-yl]carbonyl}cyclohexyl)urea

N-(3-methoxypropyl)-N'-((1R,2S)-2-{[(3aR,4R,9bR)-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinolin-1-yl]carbonyl}cyclohexyl)urea

Conditions
ConditionsYield
Stage #1: (1R,2S)-2-{[(3aR,4R,9bR)-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinolin-1-yl]carbonyl}cyclohexylamine dihydrochloride; 1,1'-carbonyldiimidazole With triethylamine In DMF (N,N-dimethyl-formamide) at 0℃; for 1h;
Stage #2: 3-methoxypropylamine With triethylamine In DMF (N,N-dimethyl-formamide) at 0 - 20℃; for 14h;
99%
2,4-bis(benzyloxy)-5-bromobenzoic acid
912545-10-9

2,4-bis(benzyloxy)-5-bromobenzoic acid

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

2,4-bis-benzyloxy-5-bromo-N-(3-methoxypropyl)benzamide
1143623-80-6

2,4-bis-benzyloxy-5-bromo-N-(3-methoxypropyl)benzamide

Conditions
ConditionsYield
Stage #1: 2,4-bis(benzyloxy)-5-bromobenzoic acid With 1,1'-carbonyldiimidazole In N,N-dimethyl-formamide at 20℃; for 2h;
Stage #2: 3-methoxypropylamine In N,N-dimethyl-formamide at 20℃; Product distribution / selectivity;
99%
pyridine-2-carbaldehyde
1121-60-4

pyridine-2-carbaldehyde

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

3-methoxy-N-((pyridin-2-yl)methylene)propan-1-amine
1603164-14-2

3-methoxy-N-((pyridin-2-yl)methylene)propan-1-amine

Conditions
ConditionsYield
With sodium sulfate In tetrahydrofuran at 25℃; for 72h; Inert atmosphere; Sealed tube;99%
In dichloromethane at 20℃; for 24h;78%
In methanol for 12h; Reflux;
7-(2,2-difluoroethoxy)-3-oxo-2,3-dihydro-1H-indene-4-carbonitrile

7-(2,2-difluoroethoxy)-3-oxo-2,3-dihydro-1H-indene-4-carbonitrile

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

7-(2,2-difluoroethoxy)-3-((3-methoxypropyl)imino)-2,3-dihydro-1H-indene-4-carbonitrile

7-(2,2-difluoroethoxy)-3-((3-methoxypropyl)imino)-2,3-dihydro-1H-indene-4-carbonitrile

Conditions
ConditionsYield
With trifluoroacetic acid In benzene for 6h; Reflux; Dean-Stark;99%
methyl 2-((3,4-dichlorophenyl)amino)pyrimidine-4-carboxylate

methyl 2-((3,4-dichlorophenyl)amino)pyrimidine-4-carboxylate

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

N-(3-methoxypropyl) 2-((3,4-dichlorophenyl)amino)pyrimidine-4-carboxamide

N-(3-methoxypropyl) 2-((3,4-dichlorophenyl)amino)pyrimidine-4-carboxamide

Conditions
ConditionsYield
With ammonium nitrate at 20℃; for 20h;99%
acetylacetone
123-54-6

acetylacetone

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

(CH3OC3H6)NHC(CH3)CHC(CH3)O

(CH3OC3H6)NHC(CH3)CHC(CH3)O

Conditions
ConditionsYield
at 130℃; for 0.0833333h; microwave irradiation;98%
In ethanol for 24h; Heating;98%
acetylacetone
123-54-6

acetylacetone

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

4-((3-methoxypropyl)amino)pent-3-en-2-one
124747-45-1

4-((3-methoxypropyl)amino)pent-3-en-2-one

Conditions
ConditionsYield
at 20 - 130℃; for 0.0833333h; Microwave irradiation;98%
at 20 - 130℃; Inert atmosphere; Microwave irradiation;98%
In diethyl ether for 1h; Inert atmosphere; Schlenk technique; Reflux;97%
With toluene-4-sulfonic acid In ethanol Reflux;
In diethyl ether
4-Nitrobenzenesulfonyl chloride
98-74-8

4-Nitrobenzenesulfonyl chloride

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

N-(3-methoxypropyl)-4-nitro-benzenesulfonamide
349397-17-7

N-(3-methoxypropyl)-4-nitro-benzenesulfonamide

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 20℃; for 1h;97.8%
With potassium carbonate In acetonitrile at 30℃; for 4h;
carbon monoxide
201230-82-2

carbon monoxide

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

N,N'-bis(3-methoxypropyl)urea
82138-38-3

N,N'-bis(3-methoxypropyl)urea

Conditions
ConditionsYield
Stage #1: carbon monoxide; 3-methoxypropylamine With sulfur at 80℃; under 760.051 Torr; for 4h;
Stage #2: With oxygen at 20℃; under 760.051 Torr; for 1h; Further stages.;
97%
With sulfur at 120℃;
tert-butyl (3R)-6-cyclohexyl-3-[3-({[(4-methylphenyl)sulfonyl]oxy}methyl)-1,2,4-oxadiazol-5-yl]hexanoate
348623-96-1

tert-butyl (3R)-6-cyclohexyl-3-[3-({[(4-methylphenyl)sulfonyl]oxy}methyl)-1,2,4-oxadiazol-5-yl]hexanoate

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

A

tert-butyl (3R)-6-cyclohexyl-3-{3-[(methylamino)methyl]-1,2,4-oxadiazol-5-yl}hexanoate
438630-56-9

tert-butyl (3R)-6-cyclohexyl-3-{3-[(methylamino)methyl]-1,2,4-oxadiazol-5-yl}hexanoate

B

tert-butyl (3R)-6-cyclohexyl-3-(3-{[(3-methoxypropyl)amino]methyl}-1,2,4-oxadiazol-5-yl)hexanoate

tert-butyl (3R)-6-cyclohexyl-3-(3-{[(3-methoxypropyl)amino]methyl}-1,2,4-oxadiazol-5-yl)hexanoate

Conditions
ConditionsYield
A n/a
B 97%
C19H16FN3O4
1373257-36-3

C19H16FN3O4

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

C23H26N4O5
1373257-44-3

C23H26N4O5

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 20℃;97%
aniline
62-53-3

aniline

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

N-(3-methoxypropyl)cyclohexanamine

N-(3-methoxypropyl)cyclohexanamine

Conditions
ConditionsYield
With hydrogen In neat (no solvent) at 50℃; under 760.051 Torr; for 38h;97%
4-chloro-7-(3',5'-di-O-benzoyl-2'-deoxy-2'-fluoro-β-D-arabinofuranosyl)pyrrolo<2,3-d>pyrimidine
169516-55-6

4-chloro-7-(3',5'-di-O-benzoyl-2'-deoxy-2'-fluoro-β-D-arabinofuranosyl)pyrrolo<2,3-d>pyrimidine

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

4-(3-methoxypropylamino)-9-(2'-deoxy-2'-β-fluoro-β-D-ribofuranosyl)pyrrole[2,3-d]pyrimidine

4-(3-methoxypropylamino)-9-(2'-deoxy-2'-β-fluoro-β-D-ribofuranosyl)pyrrole[2,3-d]pyrimidine

Conditions
ConditionsYield
Stage #1: 4-chloro-7-(3',5'-di-O-benzoyl-2'-deoxy-2'-fluoro-β-D-arabinofuranosyl)pyrrolo<2,3-d>pyrimidine; 3-methoxypropylamine In tetrahydrofuran at 90℃; for 12h; Sealed tube;
Stage #2: With ammonia In methanol
96.59%
2-amino-3-hydroxy-propionaldehyde
21228-53-5

2-amino-3-hydroxy-propionaldehyde

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

3-methoxypropylformamide
71172-42-4

3-methoxypropylformamide

Conditions
ConditionsYield
In carbon monoxide96%
1-tert-butyl 3-methyl (3R,5S)-5-{[(2-tert-butyl-4-chloropyrimidin-5-yl)carbonyl](2-methylpropyl)amino}piperidine-1,3-dicarboxylate
1145745-34-1

1-tert-butyl 3-methyl (3R,5S)-5-{[(2-tert-butyl-4-chloropyrimidin-5-yl)carbonyl](2-methylpropyl)amino}piperidine-1,3-dicarboxylate

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

1-tert-butyl 3-methyl (3R,5S)-5-[({2-tert-butyl-4-[(3-methoxypropyl)amino]pyrimidin-5-yl}carbonyl)(2-methylpropyl)amino]piperidine-1,3-dicarboxylate
1145745-37-4

1-tert-butyl 3-methyl (3R,5S)-5-[({2-tert-butyl-4-[(3-methoxypropyl)amino]pyrimidin-5-yl}carbonyl)(2-methylpropyl)amino]piperidine-1,3-dicarboxylate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 80℃; for 1.5h;96%
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 80℃; for 1.5h;
2-chloro-3-nitrobenzoic acid methyl ester
53553-14-3

2-chloro-3-nitrobenzoic acid methyl ester

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

methyl 2-(3-methoxypropylamino)-3-nitrobenzoate
958032-64-9

methyl 2-(3-methoxypropylamino)-3-nitrobenzoate

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran for 12h; Reflux;96%
N4-p-bromobenzoyl-2',3'-O-isopropylidene-O2,5'-cyclocytidine
1386977-60-1

N4-p-bromobenzoyl-2',3'-O-isopropylidene-O2,5'-cyclocytidine

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

N4-p-bromobenzoyl-N2-(3-methoxypropyl)amino-N1-(2',3'-O-isopropylidene-β-D-ribofuranosyl)-2(1H)-pyrimidinamine hydrochloride
1386977-61-2

N4-p-bromobenzoyl-N2-(3-methoxypropyl)amino-N1-(2',3'-O-isopropylidene-β-D-ribofuranosyl)-2(1H)-pyrimidinamine hydrochloride

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene; lithium chloride In tetrahydrofuran at 0℃; for 0.75h;96%
3,5-di-tert-butyl-2-hydroxybenzaldehyde
37942-07-7

3,5-di-tert-butyl-2-hydroxybenzaldehyde

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

C19H31NO2

C19H31NO2

Conditions
ConditionsYield
In methanol at 20℃; Inert atmosphere; Schlenk technique;96%
3-methoxy-2-hydroxybenzaldehyde
148-53-8

3-methoxy-2-hydroxybenzaldehyde

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

C12H17NO3

C12H17NO3

Conditions
ConditionsYield
In methanol for 4h; Reflux;96%
4-chloro-6,7-dihydro-5H-pyrimido<5,4-d><1>benzazepine
105895-97-4

4-chloro-6,7-dihydro-5H-pyrimido<5,4-d><1>benzazepine

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

(6,7-Dihydro-5H-benzo[b]pyrimido[4,5-d]azepin-4-yl)-(3-methoxy-propyl)-amine

(6,7-Dihydro-5H-benzo[b]pyrimido[4,5-d]azepin-4-yl)-(3-methoxy-propyl)-amine

Conditions
ConditionsYield
at 65 - 70℃; for 2h;95%
3,5-di-tert-butyl-2-hydroxybenzaldehyde
37942-07-7

3,5-di-tert-butyl-2-hydroxybenzaldehyde

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

(E)-2,4-di-tert-butyl-6-(((3-methoxypropyl)imino)methyl)phenol

(E)-2,4-di-tert-butyl-6-(((3-methoxypropyl)imino)methyl)phenol

Conditions
ConditionsYield
In methanol for 18h; Inert atmosphere; Schlenk technique; Reflux;95%
1-[4-(i-propyl)phenyl]-pentane-1,4-dione
1033280-93-1

1-[4-(i-propyl)phenyl]-pentane-1,4-dione

3-methoxypropylamine
5332-73-0

3-methoxypropylamine

2-(4-isopropylphenyl)-1-(3-methoxypropyl)-5-methyl-1H-pyrrole

2-(4-isopropylphenyl)-1-(3-methoxypropyl)-5-methyl-1H-pyrrole

Conditions
ConditionsYield
With toluene-4-sulfonic acid In ethanol at 160℃; under 7757.43 Torr; for 0.5h; Sealed tube; Microwave irradiation;95%

3-Methoxypropylamine Consensus Reports

Reported in EPA TSCA Inventory.

3-Methoxypropylamine Specification

3-Methoxypropylamine, with CAS number of 5332-73-0, can be called Propylamine,3-methoxy- (6CI,7CI,8CI); (3-Methoxypropan-1-yl)amine; 1-Amino-3-methoxypropane; 1-Methoxy-3-aminopropane; 3-Amino-1-methoxypropane; 3-Aminopropyl methyl ether; 3-Methoxy-n-propylamine. It is a clear colourless to faintly colored liquid. 3-Methoxypropylamine is used as intermediate in the production of: dyestuff, corrosion inhibitor.

Physical properties about 3-Methoxypropylamine are: (1)ACD/LogP: -0.44; (2)ACD/LogD (pH 5.5): -3.51; (3)ACD/LogD (pH 7.4): -2.70; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.409; (12)Molar Refractivity: 25.861 cm3; (13)Molar Volume: 104.602 cm3; (14)Polarizability: 10.252 10-24cm3; (15)Surface Tension: 27.7099990844727 dyne/cm; (16)Density: 0.852 g/cm3; (17)Flash Point: 22.778 °C; (18)Enthalpy of Vaporization: 35.655 kJ/mol; (19)Boiling Point: 118.317 °C at 760 mmHg; (20)Vapour Pressure: 16.7590007781982 mmHg at 25°C

When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear suitable protective clothing, gloves and eye/face protection;
3. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
4. Keep away from sources of ignition - No smoking;

You can still convert the following datas into molecular structure:
(1)InChI=1S/C4H11NO/c1-6-4-2-3-5/h2-5H2,1H3;
(2)InChIKey=FAXDZWQIWUSWJH-UHFFFAOYSA-N;
(3)SmilesC(COC)CN

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03063,

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