Basic information
- CAS
1170-80-5- Standard SMILES
CN(Cc1ccccc1)CC1CCC(CN(C)Cc2ccccc2)CC1.Cl.Cl- InChIKey
AFVPBHIGQFTYLE-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'-dibenzyl-N,N'-dimethyl-, dihydrochloride, (E)-
- IUPAC
- N-benzyl-1-[4-[[benzyl(methyl)amino]methyl]cyclohexyl]-N-methylmethanamine;dihydrochloride
Names & synonyms
1,4-Cyclohexanebis(methylamine), N,N'-dibenzyl-N,N'-dimethyl-, dihydrochloride, (E)-1170-80-5DTXSID00151662trans-N,N'-Dibenzyl-N,N'-dimethyl-1,4-cyclohexanebis(methylamine) dihydrochlorideBenzylamine, N,N'-(1,4-cyclohexylenedimethylene)-N,N'-dimethyldi-, dihydrochloride, (E)-trans-N,N'-(1,4-Cyclohexylenedimethylene)-N,N'-dimethyldibenzylamine dihydrochlorideRefChem:220342DTXCID3074153N,N'-[Cyclohexane-1,4-diylbis(methylene)]bis(N-benzylmethanamine)--hydrogen chloride (1/2)
Database identifiers
- CAS
1170-80-5- PubChem CID
- 70890
- DTXSID
DTXSID00151662
Properties
Computed structural properties
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…