Basic information
- CAS
5778-90-5- Standard SMILES
Nc1c2c(nc3c(Cl)cccc13)CCCCC2- InChIKey
KUXRCNIQUKGCGU-UHFFFAOYSA-N- Molecular formula
- C14H15ClN2
- Average molar mass
- 246.73 g/mol
- Monoisotopic mass
- 246.0923762
Names & identifiers
- Preferred name
- 6H-Cyclohepta(b)quinoline, 7,8,9,10-tetrahydro-11-amino-4-chloro-
- IUPAC
- 4-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
Names & synonyms
MAS 805BRN 04013425778-90-56H-CYCLOHEPTA(b)QUINOLINE, 7,8,9,10-TETRAHYDRO-11-AMINO-4-CHLORO-DTXSID302064727,8,9,10-Tetrahydro-11-amino-4-chloro-6H-cyclohepta(b)quinoline5-22-10-00501 (Beilstein Handbook Reference)RefChem:309559DTXCID301289634-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amineAKOS012656488
Database identifiers
- CAS
5778-90-5- PubChem CID
- 22009
- DTXSID
DTXSID30206472- Nikkaji
- J63.323B
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…