1-(2-Chlorophenyl)biguanide

HCID 29669

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Basic information

CAS: 49872-43-7
Standard SMILES: NC(N)=NC(N)=Nc1ccccc1Cl
InChIKey: MKWFJPZMYHPQIA-UHFFFAOYSA-N
Molecular formula: C8H10ClN5
Average molar mass: 211.65 g/mol
Monoisotopic mass: 211.062473

Names & identifiers

Preferred name: 1-(2-Chlorophenyl)biguanide
IUPAC: 2-(2-chlorophenyl)-1-(diaminomethylidene)guanidine

Names & synonyms

137588-53-51-(2-chlorophenyl)biguanideN-(2-chlorophenyl)-N'-(diaminomethylene)guanidine49872-43-72-(2-chlorophenyl)-1-(diaminomethylidene)guanidineImidodicarbonimidic diamide, N-(2-chlorophenyl)-CHEMBL42752N-(2-chlorophenyl)imidodicarbonimidic diamideMFCD04225715N-(2-CHLOROPHENYL)-1-[(DIAMINOMETHYLIDENE)AMINO]METHANIMIDAMIDEguanidine, N-(2-chlorophenyl)-N'-(diaminomethylene)-2-Chloro-Phenyl biguanide

Show more names

1-carbamimidamido-N-(2-chlorophenyl)methanimidamideMaybridge1_006916GQ6L3T7RNESCHEMBL725722SCHEMBL29518838DTXSID00274880ALBB-025591BDBM50053629

Database identifiers

CAS: 49872-43-7
PubChem CID: 29669
DTXSID: DTXSID00274880
ChEMBL: CHEMBL42752
UNII: GQ6L3T7RNE
Nikkaji: J532.959K

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 103 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 246

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