Basic information
- CAS
2378-79-2- Standard SMILES
Cl.Cl.Clc1ccccc1CNCC1=CCC(CNCc2ccccc2Cl)CC1- InChIKey
YGRPUMAHIJPCOE-UHFFFAOYSA-N- Molecular formula
- C22H28Cl4N2
- Average molar mass
- 462.3 g/mol
- Monoisotopic mass
- 460.10066
Names & identifiers
- Preferred name
- 1,4-Cyclohexenebis(methylamine), N,N'-bis(o-chlorobenzyl)-, dihydrochloride
- IUPAC
- N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohex-3-en-1-yl]methanamine;dihydrochloride
Names & synonyms
N,N'-(1,4-Cyclohexenylene)bis(2-chlorobenzylamine) dihydrochlorideN,N'-Bis(o-chlorobenzyl)-1,4-cyclohexenebis(methylamine) dihydrochloride2378-79-2Benzylamine, N,N'-(1,4-cyclohexenylene)bis(2-chloro-, dihydrochloride1,4-Cyclohexenebis(methylamine), N,N'-bis(o-chlorobenzyl)-, dihydrochlorideRefChem:220366DTXSID20946577N,N'-[Cyclohex-1-ene-1,4-diylbis(methylene)]bis[1-(2-chlorophenyl)methanamine]--hydrogen chloride (1/2)
Database identifiers
- CAS
2378-79-2- PubChem CID
- 102799
- DTXSID
DTXSID20946577
Properties
Computed structural properties
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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