Basic information
- Standard SMILES
Nc1c(Cl)cc2c(c1Cl)CCC1CNCC21- InChIKey
VDZQYAVKYGGFAB-UHFFFAOYSA-N- Molecular formula
- C12H14Cl2N2
- Average molar mass
- 257.16 g/mol
- Monoisotopic mass
- 256.0534038
Names & identifiers
- Preferred name
- 6,8-Dichloro-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindol-7-ylamine
- IUPAC
- 6,8-dichloro-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindol-7-amine
Names & synonyms
SCHEMBL1415452VDZQYAVKYGGFAB-UHFFFAOYSA-N6,8-Dichloro-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindol-7-ylamine
Database identifiers
- PubChem CID
- 67023951
- Nikkaji
- J543.706G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 274
Related reactions
2 records
Compound notes
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