Maleamic acid

HCID 5280451

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Grundinformationen

CAS: 29996-04-1
Standard-SMILES: NC(=O)/C=C\C(=O)O
InChIKey: FSQQTNAZHBEJLS-UPHRSURJSA-N
Summenformel: C4H5NO3
Durchschnittliche Molmasse: 115,09 g/mol
Monoisotopische Masse: 115,02694302

Überblick

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.

Namen und Bezeichner

Bevorzugter Name: Maleamic acid
IUPAC: (Z)-4-amino-4-oxobut-2-enoic acid

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1
Polarare Oberfläche (TPSA): 80,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 8
Formalladung: 0
Komplexität: 138

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

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%)