1H,5H-Benzo(ij)quinolizine, 2,3,6,7-tetrahydro-9-methyl-
Basic information
- CAS
79643-58-6- Standard SMILES
Cc1cc2c3c(c1)CCCN3CCC2- InChIKey
QZTWYOTURUWJLW-UHFFFAOYSA-N- Molecular formula
- C13H17N
- Average molar mass
- 187.28 g/mol
- Monoisotopic mass
- 187.13609955
Names & identifiers
- Preferred name
- 1H,5H-Benzo(ij)quinolizine, 2,3,6,7-tetrahydro-9-methyl-
- IUPAC
- 7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
- English name
- 2,3,6,7-Tetrahydro-9-methyl-1H,5H-benzo[ij]quinolizine
- Molecular formula
- C13H17N
- Molecular weight
- 187.28
Names & synonyms
9-Methyljulolidine79643-58-61H,5H-Benzo(ij)quinolizine, 2,3,6,7-tetrahydro-9-methyl-BRN 01466419-Methyl-2,3,6,7-tetrahydro-1H,5H-benzo(ij)quinolizineDTXSID502298205-20-07-00223 (Beilstein Handbook Reference)RefChem:236842DTXCID001523119-methyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolineNSC659199SCHEMBL1105731
Show more names
2,3,6,7-Tetrahydro-9-methyl-1H,5H-benzo[ij]quinolizine1H,5H-Benzo[ij]quinolizine, 2,3,6,7-tetrahydro-9-methyl-
CHEMBL2008039SCHEMBL11507401NCI60_0208609-Methyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline hydrochloride
Database identifiers
- CAS
79643-58-6- PubChem CID
- 377622
- DTXSID
DTXSID50229820- ChEMBL
CHEMBL2008039- Nikkaji
- J65.463I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 158 · 158-160 °C(Press: 10 Torr)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- pka
- 7.1 · 7.10±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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