Basic information
- CAS
3345-92-4- Standard SMILES
Cl.Cl.NCC1CCC(CNCc2ccccc2Cl)CC1- InChIKey
HVDJTCQTYOACHS-UHFFFAOYSA-N- Molecular formula
- C15H25Cl3N2
- Average molar mass
- 339.7 g/mol
- Monoisotopic mass
- 338.108332
Names & identifiers
- Preferred name
- 1,4-Cyclohexanebis(methylamine), N-(o-chlorobenzyl)-, dihydrochloride, (E)-
- IUPAC
- [4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine;dihydrochloride
Names & synonyms
1,4-Cyclohexanebis(methylamine), N-(o-chlorobenzyl)-, dihydrochloride, (E)-trans-N-(o-Chlorobenzyl)-1,4-cyclohexanebis(methylamine) dihydrochlorideDTXSID50187097RefChem:220349DTXCID601095883345-92-41-[4-(Aminomethyl)cyclohexyl]-N-[(2-chlorophenyl)methyl]methanamine--hydrogen chloride (1/2)
Database identifiers
- CAS
3345-92-4- PubChem CID
- 76869
- DTXSID
DTXSID50187097
Properties
Computed structural properties
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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