o-Chlorobetanidine sulfate

HCID 6312

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Basic information

CAS: 73-64-3
Standard SMILES: CN=C(NC)NCc1ccccc1Cl.CN=C(NC)NCc1ccccc1Cl.O=S(=O)(O)O
InChIKey: KHKPENDBCIDDOT-UHFFFAOYSA-N
Molecular formula: C20H30Cl2N6O4S
Average molar mass: 521.5 g/mol
Monoisotopic mass: 520.14263

Names & identifiers

Preferred name: o-Chlorobetanidine sulfate
IUPAC: bis(1-[(2-chlorophenyl)methyl]-2,3-dimethylguanidine);sulfuric acid

Names & synonyms

o-Chlorobetanidine sulfateRefChem:109362973-64-3DTXSID509937561-[(2-chlorophenyl)methyl]-2,3-dimethylguanidine;sulfuric acidGUANIDINE, 1-(o-CHLOROBENZYL)-2,3-DIMETHYL-, SULFATE (2:1)Guanidine, N-((2-chlorophenyl)methyl)-N',N''-dimethyl-, sulfate (2:1)Sulfuric acid--N-[(2-chlorophenyl)methyl]-N',N''-dimethylguanidine (1/2)

Database identifiers

CAS: 73-64-3
PubChem CID: 6312
DTXSID: DTXSID50993756

Properties

Computed structural properties

Topological polar surface area: 156 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 33
Formal charge: 0
Complexity: 275

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