Maleamic acid

HCID 5280451CAS 29996-04-1

基本情報

標準SMILES: NC(=O)/C=C\C(=O)O
InChIKey: FSQQTNAZHBEJLS-UPHRSURJSA-N
分子式: C4H5NO3
平均分子量: 115.09 g/mol
単同位体質量: 115.02694302

概要

Maleamic acid is a dicarboxylic acid monoamide of maleamic acid. It has a role as an Escherichia coli metabolite and a bacterial xenobiotic metabolite. It is a dicarboxylic acid monoamide and an alpha,beta-unsaturated monocarboxylic acid. It is functionally related to a maleic acid. It is a conjugate acid of a maleamate.

名称と識別子

優先名称: Maleamic acid
IUPAC: (Z)-4-amino-4-oxobut-2-enoic acid

名称と別名

MALEAMIC ACID(Z)-4-amino-4-oxobut-2-enoic acidMaleic acid monoamide557-24-4MaleamateMaleic monoamideMJS1DTX3X1CHEBI:29045DTXSID301031738NSC-8155(Z)-4-azanyl-4-oxidanylidene-but-2-enoic acidCHEBI:16146

名称をさらに表示

RefChem:800737DTXCID601516747209-163-4(2Z)-3-carbamoylprop-2-enoic acidAcrylic acid, 3-carbamoyl-, (Z)-2-butenoic acid, 4-amino-4-oxo-, (2Z)-(Z)-4-amino-4-oxo-2-butenoic acid(2Z)-4-amino-4-oxobut-2-enoic acid

データベース識別子

CAS: 29996-04-1、557-24-4
PubChem CID: 5280451
DTXSID: DTXSID301031738
ChEBI: CHEBI:29045
UNII: MJS1DTX3X1
EC Number: 209-163-4
Nikkaji: J53.672E

物性

構造計算による物性

XLogP: -1
極性表面積: 80.4 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 8
形式電荷: 0
複雑度: 138

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)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information2-Butenoic acid, 4-amino-4-oxo-, (2Z)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)