Basic information
- CAS
1170-82-7- Standard SMILES
Cl.Cl.c1ccc(CCNCC2CCC(CNCCc3ccccc3)CC2)cc1- InChIKey
JJGAIWGZQREFFO-UHFFFAOYSA-N- Molecular formula
- C24H36Cl2N2
- Average molar mass
- 423.5 g/mol
- Monoisotopic mass
- 422.2255545
Names & identifiers
- Preferred name
- 1,4-Cyclohexanebis(methylamine), N,N'-bis(phenethyl)-, dihydrochloride
- IUPAC
- 2-phenyl-N-[[4-[(2-phenylethylamino)methyl]cyclohexyl]methyl]ethanamine;dihydrochloride
Names & synonyms
1170-82-7N,N'-(1,4-Cyclohexylenedimethylene)diphenethylamine dihydrochlorideN,N'-Bis(phenethyl)-1,4-cyclohexanebis(methylamine) dihydrochloride1,4-Cyclohexanebis(methylamine), N,N'-bis(phenethyl)-, dihydrochloridePhenethylamine, N,N'-(1,4-cyclohexylenedimethylene)di-, dihydrochlorideRefChem:220340DTXSID30922241N,N'-[Cyclohexane-1,4-diylbis(methylene)]bis(2-phenylethan-1-amine)--hydrogen chloride (1/2)
Database identifiers
- CAS
1170-82-7- PubChem CID
- 70892
- DTXSID
DTXSID30922241
Properties
Computed structural properties
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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