Basic information
- CAS
3289-03-0- Standard SMILES
Cl.Cl.Clc1ccccc1CNCC1CCC(CNC2CCCCC2)CC1- InChIKey
COUZOQKUCIBMSF-UHFFFAOYSA-N- Molecular formula
- C21H35Cl3N2
- Average molar mass
- 421.9 g/mol
- Monoisotopic mass
- 420.186582
Names & identifiers
- Preferred name
- 1,4-Cyclohexanebis(methylamine), N-(o-chlorobenzyl)-N'-(cyclohexyl)-, dihydrochloride, (E)-
- IUPAC
- N-[[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methyl]cyclohexanamine;dihydrochloride
Names & synonyms
1,4-Cyclohexanebis(methylamine), N-(o-chlorobenzyl)-N'-(cyclohexyl)-, dihydrochloride, (E)-trans-N-(o-Chlorobenzyl)-N'-(cyclohexyl)-1,4-cyclohexanebis(methylamine) dihydrochloride3289-03-0DTXSID10186541RefChem:220350DTXCID50109032N-{[4-({[(2-Chlorophenyl)methyl]amino}methyl)cyclohexyl]methyl}cyclohexanamine--hydrogen chloride (1/2)
Database identifiers
- CAS
3289-03-0- PubChem CID
- 76785
- DTXSID
DTXSID10186541
Properties
Computed structural properties
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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