Maleamic acid

HCID 5280451CAS 29996-04-1

기본 정보

표준 SMILES: NC(=O)/C=C\C(=O)O
InChIKey: FSQQTNAZHBEJLS-UPHRSURJSA-N
분자식: C4H5NO3
평균 분자량: 115.09 g/mol
단동위원소 질량: 115.02694302

개요

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.

이름 및 식별자

우선 이름: Maleamic acid
IUPAC: (Z)-4-amino-4-oxobut-2-enoic acid

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -1
극성 표면적: 80.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 138

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

유해성 정보

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%)