L-2,4-Diaminobutyric acid

HCID 134490CAS 1758-80-1

基本情報

標準SMILES: NCC[C@H](N)C(=O)O
InChIKey: OGNSCSPNOLGXSM-VKHMYHEASA-N
分子式: C4H10N2O2
平均分子量: 118.13 g/mol

概要

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.

名称と識別子

優先名称: L-2,4-Diaminobutyric acid
IUPAC: (2S)-2,4-diaminobutanoic acid

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: -4.6
極性表面積: 89.3 Å²
水素結合供与体数: 3
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 8
形式電荷: 0
複雑度: 84.1

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

Physical DescriptionSolid

安全と法規制

GHS分類

GHS Classification · 4 件

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.