6-(2-Chloropropyl)-5,7,12,13-tetrahydrobenzo[d][2]benzazonine
Basic information
- CAS
30115-69-6- Standard SMILES
CC(Cl)CN1Cc2ccccc2CCc2ccccc2C1- InChIKey
GGKWVJIKYBHHIB-UHFFFAOYSA-N- Molecular formula
- C19H22ClN
- Average molar mass
- 299.8 g/mol
- Monoisotopic mass
- 299.1440774
Names & identifiers
- Preferred name
- 6-(2-Chloropropyl)-5,7,12,13-tetrahydrobenzo[d][2]benzazonine
- IUPAC
- 6-(2-chloropropyl)-5,7,12,13-tetrahydrobenzo[d][2]benzazonine
Names & synonyms
30115-69-6NSC1848106-(2-chloropropyl)-5,7,12,13-tetrahydrobenzo[d][2]benzazonineDTXSID70306985NSC-1848106-(2-chloropropyl)-6,7,12,13-tetrahydro-5H-dibenzo[c,g]azonine
Database identifiers
- CAS
30115-69-6- PubChem CID
- 302148
- DTXSID
DTXSID70306985
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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