Basic information
- CAS
3289-04-1- Standard SMILES
C1CCC(CNCC2CCC(CNC3CCCCC3)CC2)CC1.Cl.Cl- InChIKey
HWLKAQICMUZYAG-UHFFFAOYSA-N- Molecular formula
- C21H42Cl2N2
- Average molar mass
- 393.5 g/mol
- Monoisotopic mass
- 392.2725047
Names & identifiers
- Preferred name
- 1,4-Cyclohexanebis(methylamine), N-(cyclohexyl)-N'-(cyclohexylmethyl)-, dihydrochloride, (E)-
- IUPAC
- N-[[4-[(cyclohexylmethylamino)methyl]cyclohexyl]methyl]cyclohexanamine;dihydrochloride
Names & synonyms
1,4-Cyclohexanebis(methylamine), N-(cyclohexyl)-N'-(cyclohexylmethyl)-, dihydrochloride, (E)-DTXSID70186542trans-N-(Cyclohexyl)-N'-(cyclohexylmethyl)-1,4-cyclohexanebis(methylamine) dihydrochloride3289-04-1RefChem:220348DTXCID10109033N-[(4-{[(Cyclohexylmethyl)amino]methyl}cyclohexyl)methyl]cyclohexanamine--hydrogen chloride (1/2)
Database identifiers
- CAS
3289-04-1- PubChem CID
- 76787
- DTXSID
DTXSID70186542
Properties
Computed structural properties
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…