Basic information
- CAS
107035-08-5- Standard SMILES
CN1CCC[C@@H]2[C@@H](c3ccccc3)c3ccccc3[C@@H]21- InChIKey
ZFTCDHKYTKCNGS-QYZOEREBSA-N- Molecular formula
- C19H21N
- Average molar mass
- 263.4 g/mol
- Monoisotopic mass
- 263.16739967
Names & identifiers
- Preferred name
- 1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-1-methyl-5-phenyl-, (-)-
- IUPAC
- (4aR,5S,9bR)-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
- English name
- Brn 4690809
- Molecular formula
- C19H21N
- Molecular weight
- 263.37674
Names & synonyms
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-1-methyl-5-phenyl-, (-)-RefChem:1058140BRN 46908091H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-1-methyl-5-phenyl-, (4a-alpha,5-alpha,9b-alpha)-81202-76-8BRN 6062753(-)-1-Methyl-5-phenyl-2,3,4,4a,5,9b-hexahydro-1H-indeno(1,2-b)pyridine(-)-2,3,4,4a,5,9b-Hexahydro-1-methyl-5-phenyl-1H-indeno(1,2-b)pyridineCHEMBL166738107035-08-51H-Indeno[1,2-b]pyridine, 2,3,4,4a,5,9b-hexahydro-1-methyl-5-phenyl-, (4aα,5α,9bα)- (9CI)
Database identifiers
- CAS
107035-08-5、81202-76-8- PubChem CID
- 3065151
- ChEMBL
CHEMBL166738
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Boiling point
- 374.6 · 374.6±21.0 °C(Predicted)
- Density
- 1.071 · 1.071±0.06 g/cm3(Predicted)
- pka
- 9.02 · 9.02±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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