Basic information
- CAS
4802-79-3- Standard SMILES
c1ccc2c3c([nH]c2c1)C1CCCCN1CC3- InChIKey
OURDZMSSMGUMKR-UHFFFAOYSA-N- Molecular formula
- C15H18N2
- Average molar mass
- 226.32 g/mol
- Monoisotopic mass
- 226.14699858
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1,2,3,4,6,7,12,12b-Octahydroindolo(2,3-a)quinolizine
- IUPAC
- 1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine
- English name
- 1,2,3,4,6,7,12,12b-octahydroindolo(2,3-a)quinolizine
- Molecular formula
- C15H18N2
- Molecular weight
- 226.32
Names & synonyms
1,2,3,4,6,7,12,12b-Octahydroindolo[2,3-a]quinolizine4802-79-3Octahydroindolo(2,3-a)quinolizine1,2,3,4,6,7,12,12b-Octahydroindolo(2,3-a)quinolizineRefChem:906611IndoloquinolizidineIndolo[2,3-a]quinolizidineIndolo(2,3-a)quinolizidineCHEMBL3453491,2,3,4,6,7,12,12b-Octahydro-indolo[2,3-a]quinolizineIndolo[2,3-a]quinolizine, 1,2,3,4,6,7,12,12b-octahydro-Indolo(2,3-a)quinolizine, 1,2,3,4,6,7,12,12b-octahydro-
Show more names
indolo[a]quinolizidineNSC 112669SCHEMBL5269957SCHEMBL30363173OURDZMSSMGUMKR-UHFFFAOYSA-NBDBM50018737NSC112669NSC-112669
Database identifiers
- CAS
4802-79-3- PubChem CID
- 98358
- ChEMBL
CHEMBL345349- Nikkaji
- J122.020I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 19 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 291
Experimental & physicochemical properties
LogP2.15
Physicochemical properties
- Melting point
- 147 · 147-147.5 °C
- Boiling point
- 397.5 · 397.5±32.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 18.31 · 18.31±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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