Formamidine

HCID 68047CAS 463-52-5

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Grundinformationen

Standard-SMILES: N=CN
InChIKey: PNKUSGQVOMIXLU-UHFFFAOYSA-N
Summenformel: CH4N2
Durchschnittliche Molmasse: 44,056 g/mol
Monoisotopische Masse: 44,03744813

Überblick

Formamidine is the smallest member of the class of carboxamidines being formic acid with the O and OH groups from the carboxy function replaced by NH and NH2 groups respectively. The parent of the class of formamidines. It has a role as an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is a carboxamidine, a member of formamidines and a one-carbon compound. It is functionally related to a formic acid.

Namen und Bezeichner

Bevorzugter Name: Formamidine
IUPAC: methanimidamide
Englischer Name: formamidine
Summenformel: CH4N2
Molmasse: 44.06

Namen und Synonyme

FormamidineMethanimidamideformimidamideMethanoic acid amidine463-52-5FormamidiniumM8KP3Q82AGCHEBI:38477DTXSID00870543RefChem:141214DTXCID20818260imidoformamide

Weitere Namen anzeigen

2,2'-(1-oxoethane-1,2-diyl)dibenzoic acid

HC(=NH)-NH2UNII-PFC3YH7YHKUNII-M8KP3Q82AGSCHEMBL1208SCHEMBL11334SCHEMBL744877SCHEMBL1387989SCHEMBL1690792

Datenbank-Bezeichner

CAS: 463-52-5、6313-33-3
PubChem CID: 68047
DTXSID: DTXSID00870543
ChEBI: CHEBI:38477
UNII: M8KP3Q82AG
Nikkaji: J231.841E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,8
Polarare Oberfläche (TPSA): 49,9 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 3
Formalladung: 0
Komplexität: 10,3

Physikochemische Eigenschaften

Schmelzpunkt: 81 °C · 81°C
Siedepunkt: 94 · 94-96 °C(Press: 55 Torr)
Dichte: 1.07 · 1.07±0.1 g/cm3(Predicted)
pka: 11.6 · 11.60±0.40(Predicted)
LogP: -1.17 · -1.170 (est)
CAS Datenbank: 463 · 463-52-5

Chemie und Industrie

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

2,4-Xylidin N-Methylformamid

Nachgelagerte Produkte

4-Cyclopropyl-1(3)H-iMidazole QUINAZOLIN-4-YLAMINE 4(1H)-Pyrimidinone, 6-(methoxymethyl)- (9CI)7-CHLORO-4-QUINAZOLINOL 3-Quinolinecarbonitrile, 6-ethoxy-1,4-dihydro-7-Methoxy-4-oxo-4(1H)-Pyrimidinone, 6-propyl- (9CI)Methanimidamide, N,N'-bis[(methylamino)carbonyl]-8-chloro-3H-pyrido[3,4-d]pyrimidin-4-one methyl 3-(1,6-dihydro-4-hydroxy-6-oxopyrimidin-5-yl)butanoate BUTTPARK 77\08-25

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Ergänzende Hinweise

DefinitionChEBI: The smallest member of the class of carboxamidines being formic acid with the O and OH groups from the carboxy function replaced by NH and NH2 groups respectively. The parent of the class of formamidines.