1,4-Cyclohexanedicarboxamide, N,N'-bis(2-chlorobenzyl)-, dihydrochloride, (E)-
Basic information
- CAS
7289-21-6- Standard SMILES
Cl.Cl.O=C(NCc1ccccc1Cl)C1CCC(C(=O)NCc2ccccc2Cl)CC1- InChIKey
XKZLLDQKULUMEB-UHFFFAOYSA-N- Molecular formula
- C22H26Cl4N2O2
- Average molar mass
- 492.3 g/mol
- Monoisotopic mass
- 490.074839
Names & identifiers
- Preferred name
- 1,4-Cyclohexanedicarboxamide, N,N'-bis(2-chlorobenzyl)-, dihydrochloride, (E)-
- IUPAC
- 1-N,4-N-bis[(2-chlorophenyl)methyl]cyclohexane-1,4-dicarboxamide;dihydrochloride
Names & synonyms
(trans)-N,N'-Bis(2-chlorobenzyl)-1,4-cyclohexanedicarboxamide dihydrochloride7289-21-61,4-Cyclohexanedicarboxamide, N,N'-bis(2-chlorobenzyl)-, dihydrochloride, (E)-RefChem:220356DTXSID70993672N~1~,N~4~-Bis[(2-chlorophenyl)methyl]cyclohexane-1,4-dicarboximidic acid--hydrogen chloride (1/2)
Database identifiers
- CAS
7289-21-6- PubChem CID
- 81708
- DTXSID
DTXSID70993672
Properties
Computed structural properties
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 477
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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