Product Name

  • Name

    N-ME-DL-ALA-OH HCL

  • EINECS
  • CAS No. 600-21-5
  • Article Data23
  • CAS DataBase
  • Density 1.048 g/cm3
  • Solubility
  • Melting Point 317 °C
  • Formula C4H9NO2
  • Boiling Point 190.1 °C at 760 mmHg
  • Molecular Weight 103.121
  • Flash Point 68.8 °C
  • Transport Information
  • Appearance white crystalline powder
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 600-21-5 (N-ME-DL-ALA-OH HCL)
  • Hazard Symbols Xi
  • Synonyms Methylalanine, dl-;N-Methylalanine;
  • PSA 49.33000
  • LogP 0.87180

Synthetic route

2-Bromopropionic acid
598-72-1

2-Bromopropionic acid

methylamine
74-89-5

methylamine

N-methylalanine
600-21-5

N-methylalanine

Conditions
ConditionsYield
In ethanol at 0 - 20℃; for 48h;90%
With water
(rac)-N-benzyl-N-methylalanine
101692-94-8

(rac)-N-benzyl-N-methylalanine

N-methylalanine
600-21-5

N-methylalanine

Conditions
ConditionsYield
With 10% Pd/C; hydrogen In acetic acid70%
With hydrogen; palladium on activated charcoal
1,2-dimethyl-4-nitro-1H-imidazole
7464-68-8

1,2-dimethyl-4-nitro-1H-imidazole

N-methylalanine
600-21-5

N-methylalanine

Conditions
ConditionsYield
With hydrogenchloride; tin(ll) chloride
1,4-dimethyl-5-nitro-1H-imidazole
57658-79-4

1,4-dimethyl-5-nitro-1H-imidazole

A

1,5-dimethyl-1H-imidazol-4-ylamine
871885-96-0

1,5-dimethyl-1H-imidazol-4-ylamine

B

N-methylalanine
600-21-5

N-methylalanine

Conditions
ConditionsYield
With hydrogenchloride; tin(ll) chloride at 10℃;
methylaminopropionitrile
16752-54-8

methylaminopropionitrile

N-methylalanine
600-21-5

N-methylalanine

Conditions
ConditionsYield
With hydrogenchloride
With potassium hydroxide
methylamine
74-89-5

methylamine

2-chloro-propanoic acid, ethyl ester
535-13-7

2-chloro-propanoic acid, ethyl ester

N-methylalanine
600-21-5

N-methylalanine

Conditions
ConditionsYield
With water at 120 - 130℃; Destillieren des Produkts und Kochen den Rueckstand mit Baryt;
methylamine
74-89-5

methylamine

Ethyl 2-bromopropionate
535-11-5, 41978-69-2

Ethyl 2-bromopropionate

N-methylalanine
600-21-5

N-methylalanine

Conditions
ConditionsYield
With water at 140℃; Kochen des das erhaltene Gemisch der α-Methyl-amino-propionsaeure und ihres Methylamids mit Barytwasser;
2-(1-Methyl-hydrazino)-propionsaeure
98026-07-4

2-(1-Methyl-hydrazino)-propionsaeure

N-methylalanine
600-21-5

N-methylalanine

Conditions
ConditionsYield
With acetic acid; sodium nitrite
2-oxo-propionic acid
127-17-3

2-oxo-propionic acid

benzyl-methyl-amine
103-67-3

benzyl-methyl-amine

N-methylalanine
600-21-5

N-methylalanine

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In ethanol
methylamine
74-89-5

methylamine

(R,S)-2-chloropropionic acid
598-78-7

(R,S)-2-chloropropionic acid

N-methylalanine
600-21-5

N-methylalanine

Conditions
ConditionsYield
In water
α-N-methylaminopropionamide
32012-16-1

α-N-methylaminopropionamide

N-methylalanine
600-21-5

N-methylalanine

Conditions
ConditionsYield
With potassium hydroxide; ammonia pH: 13.6;
hydrogenchloride
7647-01-0

hydrogenchloride

1,2-dimethyl-4-nitro-1H-imidazole
7464-68-8

1,2-dimethyl-4-nitro-1H-imidazole

tin (II)-chloride

tin (II)-chloride

A

1,5-dimethyl-1H-imidazol-4-ylamine
871885-96-0

1,5-dimethyl-1H-imidazol-4-ylamine

B

N-methylalanine
600-21-5

N-methylalanine

DL-2--propionic acid

DL-2--propionic acid

N-methylalanine
600-21-5

N-methylalanine

Conditions
ConditionsYield
With sulfuric acid
methylamine
74-89-5

methylamine

DL-2-chloro-propionic acid

DL-2-chloro-propionic acid

N-methylalanine
600-21-5

N-methylalanine

Conditions
ConditionsYield
at 40℃;
sodium salt of methylene-dl-alanine

sodium salt of methylene-dl-alanine

N-methylalanine
600-21-5

N-methylalanine

Conditions
ConditionsYield
With ethanol; sodium in der Siedehitze;
methylamine
74-89-5

methylamine

C

C

A

sarcosine
107-97-1

sarcosine

B

N-methylalanine
600-21-5

N-methylalanine

C

aspartic Acid
617-45-8

aspartic Acid

Conditions
ConditionsYield
With ammonia Yield given. Further byproducts given. Yields of byproduct given;
sulfuric acid
7664-93-9

sulfuric acid

N-methyl-N-(phenylsulfonyl)alanine

N-methyl-N-(phenylsulfonyl)alanine

N-methylalanine
600-21-5

N-methylalanine

ethanol
64-17-5

ethanol

N-methylen-alanine ; sodium salt

N-methylen-alanine ; sodium salt

sodium

sodium

N-methylalanine
600-21-5

N-methylalanine

Conditions
ConditionsYield
in der Siedehitze;
N-methylalanine
600-21-5

N-methylalanine

N-methyl-N-nitrosoalanine
40162-09-2

N-methyl-N-nitrosoalanine

Conditions
ConditionsYield
With 3,3-dimethyl-2-nitroso-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide In 1,2-dichloro-ethane at 80℃; Sealed tube;97%
With hydrogenchloride; sodium nitrite
2-phenyl-3-nitro-2H-chromene
57543-84-7

2-phenyl-3-nitro-2H-chromene

N-methylalanine
600-21-5

N-methylalanine

indole-2,3-dione
91-56-5

indole-2,3-dione

(1S*,3S*,3aS*,4R*,9bR*)-2,3-dimethyl-3a-nitro-4-phenyl-2,3,3a,9b-tetrahydro-4H-spiro[chromeno[3,4-c]pyrrole-1,3’-indolin]-2’-one

(1S*,3S*,3aS*,4R*,9bR*)-2,3-dimethyl-3a-nitro-4-phenyl-2,3,3a,9b-tetrahydro-4H-spiro[chromeno[3,4-c]pyrrole-1,3’-indolin]-2’-one

Conditions
ConditionsYield
In isopropyl alcohol at 55 - 60℃; for 5h;95%
N-methylalanine
600-21-5

N-methylalanine

1,2-dicyanocyclobutene
3716-97-0

1,2-dicyanocyclobutene

1,2,7-trimethylazepine-3,6-dicarbonitrile
77418-65-6

1,2,7-trimethylazepine-3,6-dicarbonitrile

Conditions
ConditionsYield
With acetic anhydride at 95℃; for 6h;93%
N-methylalanine
600-21-5

N-methylalanine

6-Chloro-3-nitro-2-(trifluoromethyl)-2H-chromene

6-Chloro-3-nitro-2-(trifluoromethyl)-2H-chromene

indole-2,3-dione
91-56-5

indole-2,3-dione

(1S*,3S*,3aS*,4S*,9bR*)-8-chloro-2,3-dimethyl-3a-nitro-4-(trifluoromethyl)-2,3,3a,9b-tetrahydro-4H-spiro[chromeno[3,4-c]pyrrole-1,3’-indolin]-2’-one

(1S*,3S*,3aS*,4S*,9bR*)-8-chloro-2,3-dimethyl-3a-nitro-4-(trifluoromethyl)-2,3,3a,9b-tetrahydro-4H-spiro[chromeno[3,4-c]pyrrole-1,3’-indolin]-2’-one

Conditions
ConditionsYield
In isopropyl alcohol at 55 - 60℃; for 5h;93%
N-methylalanine
600-21-5

N-methylalanine

6,8-Dibromo-3-nitro-2-(trifluoromethyl)-2H-chromene

6,8-Dibromo-3-nitro-2-(trifluoromethyl)-2H-chromene

indole-2,3-dione
91-56-5

indole-2,3-dione

(1S*,3S*,3aS*,4S*,9bR*)-6,8-dibromo-2,3-dimethyl-3a-nitro-4-(trifluoromethyl)-2,3,3a,9b-tetrahydro-4H-spiro[chromeno[3,4-c]pyrrole-1,3’-indolin]-2’-one

(1S*,3S*,3aS*,4S*,9bR*)-6,8-dibromo-2,3-dimethyl-3a-nitro-4-(trifluoromethyl)-2,3,3a,9b-tetrahydro-4H-spiro[chromeno[3,4-c]pyrrole-1,3’-indolin]-2’-one

Conditions
ConditionsYield
In isopropyl alcohol at 55 - 60℃; for 5h;91%
N-methylalanine
600-21-5

N-methylalanine

thiourea
17356-08-0

thiourea

1,5-dimethyl-2-thioxoimidazolidin-4-one

1,5-dimethyl-2-thioxoimidazolidin-4-one

Conditions
ConditionsYield
at 180 - 195℃; for 1.25h;90%
3-nitro-2-(trifluoromethyl)-2H-chromene
890095-37-1

3-nitro-2-(trifluoromethyl)-2H-chromene

N-methylalanine
600-21-5

N-methylalanine

indole-2,3-dione
91-56-5

indole-2,3-dione

(1S*,3S*,3aS*,4S*,9bR*)-2,3-dimethyl-3a-nitro-4-(trifluoromethyl)-2,3,3a,9b-tetrahydro-4H-spiro[chromeno[3,4-c]pyrrole-1,3’-indolin]-2’-one

(1S*,3S*,3aS*,4S*,9bR*)-2,3-dimethyl-3a-nitro-4-(trifluoromethyl)-2,3,3a,9b-tetrahydro-4H-spiro[chromeno[3,4-c]pyrrole-1,3’-indolin]-2’-one

Conditions
ConditionsYield
In isopropyl alcohol at 55 - 60℃; for 5h;89%
N-methylalanine
600-21-5

N-methylalanine

di-tert-butyl dicarbonate
24424-99-5

di-tert-butyl dicarbonate

(S)-N-tert-butoxycarbonyl-N-methyl-2-amino-propionic acid
13734-31-1

(S)-N-tert-butoxycarbonyl-N-methyl-2-amino-propionic acid

Conditions
ConditionsYield
Stage #1: N-methylalanine; di-tert-butyl dicarbonate In methanol; water at 20℃; for 23.0833h;
Stage #2: With citric acid In methanol; water pH=3;
88%
6-methoxy-3-nitro-2-trifluoromethyl-2H-chromene
1003573-84-9

6-methoxy-3-nitro-2-trifluoromethyl-2H-chromene

N-methylalanine
600-21-5

N-methylalanine

indole-2,3-dione
91-56-5

indole-2,3-dione

(1S*,3S*,3aS*,4S*,9bR*)-8-methoxy-2,3-dimethyl-3a-nitro-4-(trifluoromethyl)-2,3,3a,9b-tetrahydro-4H-spiro[chromeno[3,4-c]pyrrole-1,3’-indolin]-2’-one

(1S*,3S*,3aS*,4S*,9bR*)-8-methoxy-2,3-dimethyl-3a-nitro-4-(trifluoromethyl)-2,3,3a,9b-tetrahydro-4H-spiro[chromeno[3,4-c]pyrrole-1,3’-indolin]-2’-one

Conditions
ConditionsYield
In isopropyl alcohol at 55 - 60℃; for 5h;88%
3-nitro-2-(trifluoromethyl)-2H-chromene
890095-37-1

3-nitro-2-(trifluoromethyl)-2H-chromene

1-methyl-1H-indole-2,3-dione
2058-74-4

1-methyl-1H-indole-2,3-dione

N-methylalanine
600-21-5

N-methylalanine

(1S*,3S*,3aS*,4R*,9bR*)-1’,2,3-trimethyl-3a-nitro-4-(trifluoromethyl)-2,3,3a,9b-tetrahydro-4H-spiro[chromeno[3,4-c]pyrrole-1,3’-indolin]-2’-one

(1S*,3S*,3aS*,4R*,9bR*)-1’,2,3-trimethyl-3a-nitro-4-(trifluoromethyl)-2,3,3a,9b-tetrahydro-4H-spiro[chromeno[3,4-c]pyrrole-1,3’-indolin]-2’-one

Conditions
ConditionsYield
In isopropyl alcohol at 55 - 60℃; for 5h;87%
N-methylalanine
600-21-5

N-methylalanine

3-nitro-2-(trifluoromethyl)-2-phenyl-2H-chromene

3-nitro-2-(trifluoromethyl)-2-phenyl-2H-chromene

indole-2,3-dione
91-56-5

indole-2,3-dione

(1S*,3S*,3aS*,4S*,9bR*)-2,3,8-trimethyl-3a-nitro-4-(trifluoromethyl)-2,3,3a,9b-tetrahydro-4H-spiro[chromeno[3,4-c]pyrrole-1,3’-indolin]-2’-one

(1S*,3S*,3aS*,4S*,9bR*)-2,3,8-trimethyl-3a-nitro-4-(trifluoromethyl)-2,3,3a,9b-tetrahydro-4H-spiro[chromeno[3,4-c]pyrrole-1,3’-indolin]-2’-one

Conditions
ConditionsYield
In isopropyl alcohol at 55 - 60℃; for 5h;85%
N-methylalanine
600-21-5

N-methylalanine

2-(2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl)-3-((5-amino-1,3,4-thiadiazol-2-yl)methyl)quinazolin-4(3H)-one

2-(2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl)-3-((5-amino-1,3,4-thiadiazol-2-yl)methyl)quinazolin-4(3H)-one

2-(methylamino)-N-(5-((2-(2-(5-(2-(methylamino)propanamido)-1,3,4-thiadiazol-2-yl)ethyl)-4-oxoquinazolin-3(4H)-yl)methyl)-1,3,4-thiadiazol-2-yl)propanamide

2-(methylamino)-N-(5-((2-(2-(5-(2-(methylamino)propanamido)-1,3,4-thiadiazol-2-yl)ethyl)-4-oxoquinazolin-3(4H)-yl)methyl)-1,3,4-thiadiazol-2-yl)propanamide

Conditions
ConditionsYield
With dicyclohexyl-carbodiimide In tetrahydrofuran for 24h;85%
formic acid
64-18-6

formic acid

N-methylalanine
600-21-5

N-methylalanine

N-formyl-N-methyl-D,L-alanine
108732-17-8

N-formyl-N-methyl-D,L-alanine

Conditions
ConditionsYield
With acetic anhydride for 12h; Ambient temperature;84%
N-methylalanine
600-21-5

N-methylalanine

1-benzylisatin
1217-89-6

1-benzylisatin

(2-oxo-1,2-dihydro-indol-3-ylidene)-acetic acid ethyl ester
21728-28-9

(2-oxo-1,2-dihydro-indol-3-ylidene)-acetic acid ethyl ester

C30H29N3O4

C30H29N3O4

Conditions
ConditionsYield
In methanol at 30℃; for 28h; diastereoselective reaction;84%
N-methylalanine
600-21-5

N-methylalanine

ethyl trifluoroacetate,
383-63-1

ethyl trifluoroacetate,

N-methyl-N-trifluoroacetylalanine

N-methyl-N-trifluoroacetylalanine

Conditions
ConditionsYield
With N,N,N',N'-tetramethylguanidine In methanol at 20℃; for 14h;80.4%
1-benzyl-1H-pyrrole-2,5-dione
1631-26-1

1-benzyl-1H-pyrrole-2,5-dione

N-methylalanine
600-21-5

N-methylalanine

indole-2,3-dione
91-56-5

indole-2,3-dione

4-benzyl-1,6-dimethylpyrrolidino[3,4-c]pyrrole-2-spiro-3'-(2-oxindole)-3,5-dione

4-benzyl-1,6-dimethylpyrrolidino[3,4-c]pyrrole-2-spiro-3'-(2-oxindole)-3,5-dione

Conditions
ConditionsYield
In methanol at 90℃; for 18h;79%
3,6-dinitro-2-trifluoromethyl-2H-chromene

3,6-dinitro-2-trifluoromethyl-2H-chromene

N-methylalanine
600-21-5

N-methylalanine

indole-2,3-dione
91-56-5

indole-2,3-dione

(1S*,3S*,3aS*,4S*,9bR*)-2,3-dimethyl-3a,8-dinitro-4-(trifluoromethyl)-2,3,3a,9b-tetrahydro-4H-spiro[chromeno[3,4-c]pyrrole-1,3’-indolin]-2’-one

(1S*,3S*,3aS*,4S*,9bR*)-2,3-dimethyl-3a,8-dinitro-4-(trifluoromethyl)-2,3,3a,9b-tetrahydro-4H-spiro[chromeno[3,4-c]pyrrole-1,3’-indolin]-2’-one

Conditions
ConditionsYield
In isopropyl alcohol at 55 - 60℃; for 5h;79%
N-methylalanine
600-21-5

N-methylalanine

chloroacetyl chloride
79-04-9

chloroacetyl chloride

N-Chloracetyl-N-methyl-DL-alanin
138062-74-5

N-Chloracetyl-N-methyl-DL-alanin

Conditions
ConditionsYield
With hydroxide73%
With sodium hydroxide
ethanol
64-17-5

ethanol

N-methylalanine
600-21-5

N-methylalanine

acryloyl chloride
814-68-6

acryloyl chloride

N-acryloyl-N-methylalanine ethyl ester

N-acryloyl-N-methylalanine ethyl ester

Conditions
ConditionsYield
Stage #1: ethanol; N-methylalanine With thionyl chloride Cooling with ice;
Stage #2: With potassium carbonate In water at 20℃; for 1h;
Stage #3: acryloyl chloride In water at 20℃; for 2h; Cooling with ice;
71%
3-nitro-2-(trifluoromethyl)-2H-chromene
890095-37-1

3-nitro-2-(trifluoromethyl)-2H-chromene

5-methyl-indole-2,3-dione
608-05-9

5-methyl-indole-2,3-dione

N-methylalanine
600-21-5

N-methylalanine

(1S*,3S*,3aS*,4R*,9bR*)-2,3,5’-trimethyl-3a-nitro-4-(trifluoromethyl)-2,3,3a,9b-tetrahydro-4Hspiro[chromeno[3,4-c]pyrrole-1,3’-indolin]-2’-one

(1S*,3S*,3aS*,4R*,9bR*)-2,3,5’-trimethyl-3a-nitro-4-(trifluoromethyl)-2,3,3a,9b-tetrahydro-4Hspiro[chromeno[3,4-c]pyrrole-1,3’-indolin]-2’-one

Conditions
ConditionsYield
In isopropyl alcohol at 55 - 60℃; for 5h;70%
N-methylalanine
600-21-5

N-methylalanine

acetic anhydride
108-24-7

acetic anhydride

N-acetyl-N-methylalanine
70717-18-9

N-acetyl-N-methylalanine

Conditions
ConditionsYield
With sodium hydroxide at 50℃; for 1.5h;66%
N-methylalanine
600-21-5

N-methylalanine

5-chloro-2-methylphenylisothiocyanate
19241-36-2

5-chloro-2-methylphenylisothiocyanate

3-(5-chloro-2-methyl-phenyl)-1,5-dimethyl-2-thioxo-imidazolidin-4-one

3-(5-chloro-2-methyl-phenyl)-1,5-dimethyl-2-thioxo-imidazolidin-4-one

Conditions
ConditionsYield
With triethylamine In chloroform for 18h; Heating;64%
N-methylalanine
600-21-5

N-methylalanine

p-toluenesulfonyl chloride
98-59-9

p-toluenesulfonyl chloride

N-methyl-N-[(4-methylphenyl)sulfonyl]alanine
374622-04-5

N-methyl-N-[(4-methylphenyl)sulfonyl]alanine

Conditions
ConditionsYield
With sodium carbonate In water63.6%
N-methylalanine
600-21-5

N-methylalanine

2-(methylamino)propan-1-ol
27646-78-2

2-(methylamino)propan-1-ol

Conditions
ConditionsYield
With lithium aluminium tetrahydride In tetrahydrofuran at 70℃; for 16h;61%
With lithium aluminium tetrahydride; diethyl ether
styrene
292638-84-7

styrene

N-methylalanine
600-21-5

N-methylalanine

rac-Pro-OH
609-36-9

rac-Pro-OH

6,10-dimethyl-7-phenyl-6,7,8,9-tetrahydro-5H-6,9-epiminopy-rrolo[1,2-a]azepin-5-o ne

6,10-dimethyl-7-phenyl-6,7,8,9-tetrahydro-5H-6,9-epiminopy-rrolo[1,2-a]azepin-5-o ne

Conditions
ConditionsYield
With acetic acid at 110℃; for 24h; Inert atmosphere; Sealed tube; Green chemistry;60%
N-methylalanine
600-21-5

N-methylalanine

2-Prop-2-ynyloxybenzoic acid chloride
65211-53-2

2-Prop-2-ynyloxybenzoic acid chloride

N-methyl-N-<2-(prop-2-ynyloxy)benzoyl>alanine
120801-39-0

N-methyl-N-<2-(prop-2-ynyloxy)benzoyl>alanine

Conditions
ConditionsYield
With sodium hydroxide In benzene for 0.5h;58%
N-methylalanine
600-21-5

N-methylalanine

benzyl alcohol
100-51-6

benzyl alcohol

N-methylalanine benzyl ester hydrochloride

N-methylalanine benzyl ester hydrochloride

Conditions
ConditionsYield
With hydrogenchloride; thionyl chloride at 95 - 100℃; for 7h;56%
N-methylalanine
600-21-5

N-methylalanine

benzenesulfonyl chloride
98-09-9

benzenesulfonyl chloride

N-methyl-N-(phenylsulfonyl)alanine

N-methyl-N-(phenylsulfonyl)alanine

Conditions
ConditionsYield
With sodium carbonate In water51.7%

N-Methyl-DL-alanine Specification

The CAS registry number of N-Methyl-DL-alanine is 600-21-5. In addition, the molecular formula is C4H9NO2 and the molecular weight is 103.12. The IUPAC name is 2-(methylamino)propanoic acid and it is also called N-Methyl-L-alanine, (2S)-2-(methylamino)propanoic acid, CHEMBL1234201, CHEBI:17519, 3913-67-5, N-Methyl alanine, Methylalanine. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about N-Methyl-DL-alanine are: (1)ACD/LogP: -0.45; (2)ACD/LogD (pH 5.5): -2.94; (3)ACD/LogD (pH 7.4): -2.95; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.435; (13)Molar Refractivity: 25.69 cm3; (14)Molar Volume: 98.3 cm3; (15)Polarizability: 10.18 ×10-24cm3; (16)Surface Tension: 34.4 dyne/cm; (17)Density: 1.048 g/cm3; (18)Flash Point: 68.8 °C; (19)Enthalpy of Vaporization: 46.99 kJ/mol; (20)Boiling Point: 190.1 °C at 760 mmHg; (21)Vapour Pressure: 0.244 mmHg at 25°C.

Uses of N-Methyl-DL-alanine: it can react with 2-prop-2-ynyloxy-benzoyl chloride to get N-methyl-N-[2-(prop-2-ynyloxy)benzoyl]alanine. This reaction will need reagent aq. NaOH and solvent benzene. The reaction time is 0.5 hour. And the yield is about 80%.

DL-Alanine, N-methyl- can react with 2-prop-2-ynyloxy-benzoyl chloride to get N-methyl-N-[2-(prop-2-ynyloxy)benzoyl]alanine

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(NC)C
(2)Std.InChI: InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)
(3)Std.InChIKey: GDFAOVXKHJXLEI-UHFFFAOYSA-N

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