L-2,4-Diaminobutyric acid

HCID 134490CAS 1758-80-1

기본 정보

표준 SMILES: NCC[C@H](N)C(=O)O
InChIKey: OGNSCSPNOLGXSM-VKHMYHEASA-N
분자식: C4H10N2O2
평균 분자량: 118.13 g/mol

개요

L-2,4-diaminobutyric acid is a 2,4-diaminobutyric acid that has S-configuration. It has a role as a plant metabolite. It is functionally related to a butyric acid. It is a conjugate base of a L-2,4-diazaniumylbutyrate. It is a conjugate acid of a L-2,4-diaminobutyrate. It is an enantiomer of a D-2,4-diaminobutyric acid.

이름 및 식별자

우선 이름: L-2,4-Diaminobutyric acid
IUPAC: (2S)-2,4-diaminobutanoic acid

이름 및 동의어

1758-80-1L-2,4-diaminobutyric acid(2S)-2,4-diaminobutanoic acid(S)-2,4-Diaminobutanoic acidL-diaminobutyric acidL-DbuL-2,4-diaminobutanoic acidButanoic acid, 2,4-diamino-, (S)-61HPH2F0W7CHEBI:489502,4-DIAMINOBUTYRIC ACID, L-DTXSID20938710

이름 더 보기

RefChem:7944022,4-diaminobutyric acid, (S)-DTXCID801367231112-431-2L-DABAButanoic acid, 2,4-diamino-, (2S)-L-2,4-DiaminobutanoateH-Dab-OH

데이터베이스 식별자

CAS: 1758-80-1
PubChem CID: 134490
ChEMBL: CHEMBL321357
ChEBI: CHEBI:48950
UNII: 61HPH2F0W7
EC Number: 112-431-2
Nikkaji: J80.310C

물성

구조 계산 물성

XLogP: -4.6
극성 표면적: 89.3 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 84.1

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

Physical DescriptionSolid

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.