4-Amino-3-hydroxybutanoic acid

HCID 2149

기본 정보

CAS: 352-21-6
표준 SMILES: NCC(O)CC(=O)O
InChIKey: YQGDEPYYFWUPGO-UHFFFAOYSA-N
분자식: C4H9NO3
평균 분자량: 119.12 g/mol
단동위원소 질량: 119.05824315

개요

Gamma-amino-beta-hydroxybutyric acid is a gamma-amino acid comprising 4-aminobutyric acid having a 2-hydroxy substituent. It is a gamma-amino acid and a 3-hydroxy monocarboxylic acid. It is functionally related to a butyric acid. It is a conjugate acid of a 4-amino-3-hydroxybutanoate. It is a tautomer of a gamma-amino-beta-hydroxybutyric acid zwitterion.

이름 및 식별자

우선 이름: 4-Amino-3-hydroxybutanoic acid
IUPAC: 4-amino-3-hydroxybutanoic acid
영어명: DL-4-Amino-3-hydroxybutyric acid
분자식: C4H9NO3
분자량: 119.11916

이름 및 동의어

924-49-24-Amino-3-hydroxybutanoic acid4-Amino-3-hydroxybutyric acidGamibetalGabomadeBuksaminGamma-amino-beta-hydroxybutyric acid3-Hydroxy-GABABuxamineDTXSID10458771ZHM019FLDNSC-40244

이름 더 보기

AHBA4-amino-3-hydroxy-butyricaci3-Hydroxy-4-amino-butyric acidC03678beta-oxy-gabaAminohydroxybutyricacid4-Amino-3-hydroxybutanoate

DTXCID9025877CHEBI:16080RefChem:912319206-518-5213-106-9GabobDL-4-Amino-3-hydroxybutyric acid352-21-6

데이터베이스 식별자

CAS: 352-21-6、924-49-2
PubChem CID: 2149
DTXSID: DTXSID1045877
ChEMBL: CHEMBL93515
ChEBI: CHEBI:16080
UNII: 1ZHM019FLD
EC Number: 206-518-5、213-106-9
Nikkaji: J5.691J

물성

구조 계산 물성

XLogP: -4.1
극성 표면적: 83.6 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 83.4

물리화학적 성질

녹는점: 157 · 157-161°C
끓는 점: 220.63 °C · 220.63°C (rough estimate)
밀도: 1.3492 · 1.3492 (rough estimate)
굴절률: 1.454 · 1.4540 (estimate)
EPA: 4 · Butanoic acid, 4-amino-3-hydroxy-(352-21-6)

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H315 (97.6%): 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

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