4-Aminobutyric acid methyl ester hydrochloride

HCID 2756383

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 13031-60-2
표준 SMILES: COC(=O)CCCN.Cl
InChIKey: WPGPRLVPWACBHW-UHFFFAOYSA-N
분자식: C5H12ClNO2
평균 분자량: 153.61 g/mol
단동위원소 질량: 153.0556563

이름 및 식별자

우선 이름: 4-Aminobutyric acid methyl ester hydrochloride
IUPAC: methyl 4-aminobutanoate;hydrochloride
영어명: Methyl 4-aminobutyrate hydrochloride
분자식: C5H12ClNO2
분자량: 153.61

이름 및 동의어

4-Aminobutyric acid methyl ester hydrochlorideRefChem:52462413031-60-2Methyl 4-aminobutanoate HydrochlorideMethyl 4-aminobutyrate hydrochlorideMethyl 4-aminobutyrate HClmethyl 4-aminobutanoate hclMFCD00043270H-gamma-Abu-OMe.HClButanoic acid, 4-amino-, methyl ester, hydrochloride (1:1)Methyl-4-aminobutanoate hydrochlorideMethyl 4-amino-butyrate hydrochloride

이름 더 보기

H-γ-Abu-OMe.HCl4-Aminobutyric acid methyl ester HCl>=99.0% (AT)4-Abu-ome.HCLH-GABA-Ome.HClL-γ-Abu-OMe·HClL-4-Abu-Ome.Hcl3-Triacetoxypropane

Methyl 4-aminobutanoate (hydrochloride)Methyl 4-aminobutyrate hydrochloride, >=99.0% (AT)3-Methylbiphenyl-2-carbonitrile4-aminobutyric acid methyl ester, hydrochlorideButanoic acid, 4-amino-, methyl ester, hydrochlorideA-Abu-OMe.HClH-?-Abu-OMe.HClH-Abu(4)-OMe.HCl

데이터베이스 식별자

CAS: 13031-60-2
PubChem CID: 2756383
DTXSID: DTXSID80926678
EC Number: 629-526-4

물성

구조 계산 물성

극성 표면적: 52.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 9
형식 전하: 0
복잡도: 72.8

물리화학적 성질

녹는점: 120 · 120-125 °C(lit.)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
BRN: 3558996 · 3558996
주요 응용: 펩타이드 합성
InChI: InChI=1S/C5H11NO2.ClH/c1-8-5(7)3-2-4-6;/h2-4,6H2,1H3;1H
InChIKey: WPGPRLVPWACBHW-UHFFFAOYSA-N
SMILES: C(=O)(OC)CCCN.Cl

화학적 성질

White crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.