Formamidine

HCID 68047CAS 463-52-5

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Basic information

Standard SMILES: N=CN
InChIKey: PNKUSGQVOMIXLU-UHFFFAOYSA-N
Molecular formula: CH4N2
Average molar mass: 44.056 g/mol
Monoisotopic mass: 44.03744813

Overview

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.

Names & identifiers

Preferred name: Formamidine
IUPAC: methanimidamide
English name: formamidine
Molecular formula: CH4N2
Molecular weight: 44.06

Names & synonyms

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

Show more names

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

HC(=NH)-NH2UNII-PFC3YH7YHKUNII-M8KP3Q82AGSCHEMBL1208SCHEMBL11334SCHEMBL744877SCHEMBL1387989SCHEMBL1690792

Database identifiers

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

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 49.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 3
Formal charge: 0
Complexity: 10.3

Physicochemical properties

Melting point: 81 °C · 81°C
Boiling point: 94 · 94-96 °C(Press: 55 Torr)
Density: 1.07 · 1.07±0.1 g/cm3(Predicted)
pka: 11.6 · 11.60±0.40(Predicted)
LogP: -1.17 · -1.170 (est)
CAS DataBase Reference: 463 · 463-52-5
FDA UNII: 8 KP3Q82AG · M8KP3Q82AG

Chemistry & industry

Applications

UsesAmitraz is a formamidine acaricide mainly used to control ticks, whiteflies, scale insects, etc. It has good control efficacy against all stages of spider mite development.

Upstream & downstream products

Upstream raw materials

2,4-Dimethyl aniline N-Methylformamide

Downstream products

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

Suppliers5 total

深圳睿迅光电材料科技有限公司0755-26718755; 15889762949 · [email protected]

赛纳斯特化学（欢迎点击联系）021-60343070

BOC Sciences[email protected]

河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]

广州市震霖医药科技有限公司18102736234 · [email protected]

Additional notes

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.