Basic information
- CAS
6333-30-8- Standard SMILES
Cl.O=C1C(CN(Cc2ccccc2)Cc2ccccc2)CCCC1CN(Cc1ccccc1)Cc1ccccc1- InChIKey
ZPZCMRZHPQFCLU-UHFFFAOYSA-N- Molecular formula
- C36H41ClN2O
- Average molar mass
- 553.2 g/mol
- Monoisotopic mass
- 552.2907416
Names & identifiers
- Preferred name
- Cyclohexanone,6-bis[(dibenzylamino)methyl]-, dihydrochloride
- IUPAC
- 2,6-bis[(dibenzylamino)methyl]cyclohexan-1-one;hydrochloride
Names & synonyms
NSC649639NSC385386333-30-8CHEMBL1978096Cyclohexanone,6-bis[(dibenzylamino)methyl]-, dihydrochlorideNSC-38538NSC-649639Cyclohexanone,6-bis[[bis(phenylmethy)amino]methyl]-,dihydrochloride
Database identifiers
- CAS
6333-30-8- PubChem CID
- 373390
- ChEMBL
CHEMBL1978096
Properties
Computed structural properties
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 588
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…