N-(3,4-Dichlorophenyl)-N',N''-dipropan-2-ylguanidine

HCID 28798

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Basic information

CAS: 17826-45-8
Standard SMILES: CC(C)N=C(Nc1ccc(Cl)c(Cl)c1)NC(C)C
InChIKey: XHRFOWAEJQVERX-UHFFFAOYSA-N
Molecular formula: C13H19Cl2N3
Average molar mass: 288.21 g/mol
Monoisotopic mass: 287.095603

Names & identifiers

Preferred name: N-(3,4-Dichlorophenyl)-N',N''-dipropan-2-ylguanidine
IUPAC: 1-(3,4-dichlorophenyl)-2,3-di(propan-2-yl)guanidine

Names & synonyms

17826-45-8DTXSID80939061N-(3,4-Dichlorophenyl)-N',N''-dipropan-2-ylguanidineRefChem:1091108DTXCID701367571BAY 80565Bayer 805652-(3,4-Dichlorophenyl)-1,3-diisopropylguanidineGUANIDINE, 2-(3,4-DICHLOROPHENYL)-1,3-DIISOPROPYL-Guanidine, N-(3,4-dichlorophenyl)-N',N''-bis(1-methylethyl)-N-(3,4-Dichlorophenyl)-N',N''-di(propan-2-yl)guanidine

Database identifiers

CAS: 17826-45-8
PubChem CID: 28798
DTXSID: DTXSID80939061

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 36.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 279

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