9-Methyl-2,3,4,5,6,7,8,9-octahydro-1H-carbazole
Basic information
- CAS
23518-22-1- Standard SMILES
Cn1c2c(c3c1CCCC3)CCCC2- InChIKey
HKJGFGUEJZPZOO-UHFFFAOYSA-N- Molecular formula
- C13H19N
- Average molar mass
- 189.3 g/mol
- Monoisotopic mass
- 189.15174961
Names & identifiers
- Preferred name
- 9-Methyl-2,3,4,5,6,7,8,9-octahydro-1H-carbazole
- IUPAC
- 9-methyl-1,2,3,4,5,6,7,8-octahydrocarbazole
- English name
- 2,3,4,5,6,7,8,9-Octahydro-9-methyl-1H-carbazole
- Molecular formula
- C13H19N
- Molecular weight
- 189.3
Names & synonyms
23518-22-1DTXSID209462549-METHYL-2,3,4,5,6,7,8,9-OCTAHYDRO-1H-CARBAZOLERefChem:1075011DTXCID101374544N-Methyl-octahydrocarbazole9-methyl-1,2,3,4,5,6,7,8-octahydrocarbazoleBRN 01290012,3,4,5,6,7,8,9-Octahydro-9-methyl-1H-carbazoleCARBAZOLE, 1,2,3,4,5,6,7,8-OCTAHYDRO-9-METHYL-Maybridge1_0031145-20-06-00460 (Beilstein Handbook Reference)
Show more names
1H-Carbazole, 2,3,4,5,6,7,8,9-octahydro-9-methyl-
SCHEMBL12251825HMS550F12CCG-44628DP 00652N-methyl-2,3,4,5,6,7,8,9-octahydrocarbazoleSR-01000634449-1
Database identifiers
- CAS
23518-22-1- PubChem CID
- 31970
- DTXSID
DTXSID20946254- Nikkaji
- J48.445H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 313.4 · 313.4±11.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 0.76 · 0.76±0.20(Predicted)
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Related reactions
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Compound notes
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