1,4-Cyclohexanebis(methylamine), N,N'-bis(2-furylmethyl)-, dihydrochloride

HCID 77633

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Basic information

CAS: 4016-71-1
Standard SMILES: Cl.Cl.c1coc(CNCC2CCC(CNCc3ccco3)CC2)c1
InChIKey: DZSKWIJNUAODIH-UHFFFAOYSA-N
Molecular formula: C18H28Cl2N2O2
Average molar mass: 375.3 g/mol
Monoisotopic mass: 374.1527835

Names & identifiers

Preferred name: 1,4-Cyclohexanebis(methylamine), N,N'-bis(2-furylmethyl)-, dihydrochloride
IUPAC: N-(furan-2-ylmethyl)-1-[4-[(furan-2-ylmethylamino)methyl]cyclohexyl]methanamine;dihydrochloride

Names & synonyms

N,N'-Bis(2-furylmethyl)-1,4-cyclohexanebis(methylamine) dihydrochloride4016-71-11,4-Cyclohexanebis(methylamine), N,N'-bis(2-furylmethyl)-, dihydrochloride2-Furanmethylamine, N,N'-(1,4-cyclohexylenedimethylene)di-, dihydrochlorideN,N'-(1,4-Cyclohexylenedimethylene)di(2-furanmethylamine) dihydrochlordieRefChem:220315DTXSID10960601N,N'-[Cyclohexane-1,4-diylbis(methylene)]bis[1-(furan-2-yl)methanamine]--hydrogen chloride (1/2)

Database identifiers

CAS: 4016-71-1
PubChem CID: 77633
DTXSID: DTXSID10960601

Properties

Computed structural properties

Topological polar surface area: 50.3 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 24
Formal charge: 0
Complexity: 275

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