1,4-Cyclohexanebis(methylamine), N-(o-chlorobenzyl)-N'-(cyclohexylmethyl)-, dihydrochloride, trans-
Basic information
- CAS
3549-24-4- Standard SMILES
Cl.Cl.Clc1ccccc1CNCC1CCC(CNCC2CCCCC2)CC1- InChIKey
LQUVLNWIUORBDJ-UHFFFAOYSA-N- Molecular formula
- C22H37Cl3N2
- Average molar mass
- 435.9 g/mol
- Monoisotopic mass
- 434.202232
Names & identifiers
- Preferred name
- 1,4-Cyclohexanebis(methylamine), N-(o-chlorobenzyl)-N'-(cyclohexylmethyl)-, dihydrochloride, trans-
- IUPAC
- N-[[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methyl]-1-cyclohexylmethanamine;dihydrochloride
Names & synonyms
trans-N-(o-chlorobenzyl)-N'-(cyclohexylmethyl)-1,4cyclohexanebis(methylamine) dihydrochloride3549-24-41,4-Cyclohexanebis(methylamine), N-(o-chlorobenzyl)-N'-(cyclohexylmethyl)-, dihydrochloride, trans-RefChem:220351DTXSID809568941-(2-Chlorophenyl)-N-[(4-{[(cyclohexylmethyl)amino]methyl}cyclohexyl)methyl]methanamine--hydrogen chloride (1/2)
Database identifiers
- CAS
3549-24-4- PubChem CID
- 77088
- DTXSID
DTXSID80956894
Properties
Computed structural properties
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 348
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Compound notes
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