Basic information
- Standard SMILES
CC(CCCCC(C)NCc1ccccc1Cl)NCc1ccccc1Cl- InChIKey
QZSFIPQJTYRURX-UHFFFAOYSA-N- Molecular formula
- C22H30Cl2N2
- Average molar mass
- 393.4 g/mol
- Monoisotopic mass
- 392.1786044
Names & identifiers
- Preferred name
- 2-N,7-N-bis[(2-chlorophenyl)methyl]octane-2,7-diamine
- IUPAC
- 2-N,7-N-bis[(2-chlorophenyl)methyl]octane-2,7-diamine
Database identifiers
- PubChem CID
- 23554
- Nikkaji
- J238.964I
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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