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Methyl 4-aminobutyrate hydrochloride

Methyl 4-aminobutyrate hydrochloride structure

CAS No:
13031-60-2
Formula:
C5H11NO2.ClH
Chemical Name:
Methyl 4-aminobutyrate hydrochloride
Synonyms:
Butanoic acid,4-amino-,methyl ester,hydrochloride (1:1);Butyric acid,4-amino-,methyl ester,hydrochloride;Butanoic acid,4-amino-,methyl ester,hydrochloride;4-Aminobutyric acid methyl ester hydrochloride;Methyl γ-aminobutyrate hydrochloride;GABA methyl ester hydrochloride;γ-Aminobutyric acid methyl ester hydrochloride;Methyl 4-aminobutyrate hydrochloride;Methyl 4-aminobutanoate hydrochloride;4-Aminobutanoic acid methyl ester hydrochloride;Methyl aminobutyrate hydrochloride
Categories:
Biochemical Engineering > Amino Acids and Derivatives

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Description

White crystalline powder

Methyl 4-aminobutyrate hydrochloride Basic Attributes

Molecular Weight：

153.61

Exact Mass：

153.055649

EC Number：

1533716-785-6

HScode：

2922499990

Characteristics

PSA：

52.3

XLogP3：

1.40060

Density：

0.99g/cm3

Melting Point：

105-107 °C

Boiling Point：

164.8ºC at 760mmHg

Flash Point：

38.7ºC

Vapor Pressure：

1.93mmHg at 25°C

Collision Cross Section：

124.7 Å² [M+H]+

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37

RTECS Number：

ES7065000

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-aminobutyric acid methyl ester

Methyl 4-aminobutyrate hydrochloride Use and Manufacturing

General procedure: To a solution of amino substituted fatty acid derivatives 10a-10d (10 mmol) in 20 mL methanol was added thionyl chloride (20 mmol) dropwise under ice bath. After stirring at room temperature for about 2 h, the solution was evaporated to give the desired products 11a-11d. Methyl 4-aminobutanoate hydrochloride (11a). White solid; yield 96.0percent; General procedure: To a stirred solution of the appropriate amino acid in MeOH at 0°C SOClTo an ice-cold solution of GABA(1 equiv) in methanol (50 mL), SOCl2 (1.2 equiv) was addeddropwise and then the mixture was heated to reflux for 1hto yield the white solid in vacuum at 40°C. The product wasrecrystallized in ethanol–ether (1 : 2) solution. Yield 94percent, mp118.3–120°C.General procedure: Thionyl chloride (10 mL) was slowly added to a cold suspension solution of the appropriate aminoacid (50 mmol) in methanol (50 mL) at 0 °C. The reaction mixture was stirred for 8–10 h and thenconcentrated on a rotary evaporator. The white precipitate formed was washed with anhydrous etherand then dried under vacuum. All data agreed with the reported data [43, 44].Compound 44a was obtained as a white solid in 90percent yield from 43a upon treatment with HCl/EtOAc [29]. No starting material was detected by TLC (1:3 hexane:EtOAc) after 3.5 h of stirring, mp 103 °C

Computed Properties

Molecular Weight:153.61
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:153.0556563
Monoisotopic Mass:153.0556563
Topological Polar Surface Area:52.3
Heavy Atom Count:9
Complexity:72.8
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

Material

Methanol

Thionyl chloride

Recommended Suppliers of Methyl 4-aminobutyrate hydrochloride

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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Methyl 4-aminobutyrate hydrochloride

CAS No.: 13031-60-2

Content: 99.00%

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Chongqing Yuhan Technology Co., Ltd Contact Supplier

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H-γ-Abu-OMe.HCl

CAS No.: 13031-60-2

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Content: 97.00%

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Guide of Methyl 4-aminobutyrate hydrochloride

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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Methyl 4-aminobutyrate hydrochloride

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