9-(Phenylazo)-2,3,6,7-tetrahydro-1H,5H-benzo(ij)quinolizine
Basic information
- CAS
32286-45-6- Standard SMILES
c1ccc(N=Nc2cc3c4c(c2)CCCN4CCC3)cc1- InChIKey
KZAWTOFFQXRLGE-UHFFFAOYSA-N- Molecular formula
- C18H19N3
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.15789762
Names & identifiers
- Preferred name
- 9-(Phenylazo)-2,3,6,7-tetrahydro-1H,5H-benzo(ij)quinolizine
- IUPAC
- 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl(phenyl)diazene
Names & synonyms
9-PhenylazojulolidineBRN 04886939-(Phenylazo)-2,3,6,7-tetrahydro-1H,5H-benzo(ij)quinolizine1H,5H-Benzo(ij)quinolizine, 2,3,6,7-tetrahydro-9-(phenylazo)-32286-45-65-22-14-00652 (Beilstein Handbook Reference)SCHEMBL9308378SCHEMBL15093093
Database identifiers
- CAS
32286-45-6- PubChem CID
- 208459
- Nikkaji
- J65.465E
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 28 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 355
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