Furfurylamine, N-(p-chloro-alpha-methylphenethyl)-N-methyl-, cyclohexanesulfamate, (+-)-

HCID 22101

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Basic information

CAS: 5843-56-1
Standard SMILES: CC(Cc1ccc(Cl)cc1)[NH+](C)Cc1ccco1.O=S(=O)([O-])NC1CCCCC1
InChIKey: YUGQEQKGOBANEY-UHFFFAOYSA-N
Molecular formula: C21H31ClN2O4S
Average molar mass: 443 g/mol
Monoisotopic mass: 442.1693063

Names & identifiers

Preferred name: Furfurylamine, N-(p-chloro-alpha-methylphenethyl)-N-methyl-, cyclohexanesulfamate, (+-)-
IUPAC: 1-(4-chlorophenyl)propan-2-yl-(furan-2-ylmethyl)-methylazanium;N-cyclohexylsulfamate

Names & synonyms

N-(p-Chloro-alpha-methylphenethyl)-N-methylfurfurylamine cyclohexanesulfamateFurfurylamine, N-(p-chloro-alpha-methylphenethyl)-N-methyl-, cyclohexanesulfamate, (+-)-5843-56-1RefChem:345867

Database identifiers

CAS: 5843-56-1
PubChem CID: 22101

Properties

Computed structural properties

Topological polar surface area: 95.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 29
Formal charge: 0
Complexity: 428

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