Succinamidsure

Succinamic acid

HCID 12522CAS 638-32-4

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Grundinformationen

Standard-SMILES: NC(=O)CCC(=O)O
InChIKey: JDVPQXZIJDEHAN-UHFFFAOYSA-N
Summenformel: C4H7NO3
Durchschnittliche Molmasse: 117,1 g/mol
Monoisotopische Masse: 117,04259308

Überblick

Succinamic acid is a dicarboxylic acid monoamide of succinic acid. It has a role as a metabolite. It is functionally related to a succinic acid. It is a conjugate acid of a succinamate.

Namen und Bezeichner

Bevorzugter Name: Succinamic acid
IUPAC: 4-amino-4-oxobutanoic acid
Lokaler Name: Succinamidsure
Englischer Name: Succinamic acid
Summenformel: C4H7NO3
Molmasse: 117.1

Namen und Synonyme

SUCCINAMIC ACID638-32-44-Amino-4-oxobutanoic acidButanoic acid, 4-amino-4-oxo-3-carbamoylpropanoic acidsuccinic acid monoamideEINECS 211-331-7W1VBK275PQCHEBI:50398DTXSID70213241NSC-78416UNII-W1VBK275PQ

Weitere Namen anzeigen

Succinamidic acidSuccinic monoamideSuccinamic acid,97%Succinamic acid 97%SuccinaMic acid, 97% 5GR4-Oxo-4-aminobutyric acidButanedioic acid monoamide

NSC 78416Succinate monoamideRefChem:186328DTXCID70135732211-331-7JDVPQXZIJDEHAN-UHFFFAOYSA-NMFCD00008041SCHEMBL36056

Datenbank-Bezeichner

CAS: 638-32-4
PubChem CID: 12522
DTXSID: DTXSID70213241
ChEBI: CHEBI:50398
UNII: W1VBK275PQ
EC Number: 211-331-7
Nikkaji: J6.922A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,2
Polarare Oberfläche (TPSA): 80,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 8
Formalladung: 0
Komplexität: 110

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Organic Acids

Physical DescriptionWhite crystalline powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 153 · 153-156 °C (lit.)
Siedepunkt: 218.88 °C · 218.88°C (rough estimate)
Dichte: 1.3886 · 1.3886 (rough estimate)
Brechungsindex: 1.454 · 1.4540 (estimate)
pka: 1 · pK1:4.39(0) (25°C)
Aggregatzustand: Crystalline Powder or Needles
Farbe: White
BRN: 1754021 · 1754021
InChI: 1S/C4H7NO3/c5-3(6)1-2-4(7)8/h1-2H2,(H2,5,6)(H,7,8)
InChIKey: JDVPQXZIJDEHAN-UHFFFAOYSA-N
SMILES: NC(=O)CCC(O)=O
CAS Datenbank: 638 · 638-32-4(CAS DataBase Reference)

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 74 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.