Basic information
- CAS
67196-17-2- Standard SMILES
CCCN1CCCC(Cn2c3ccccc3c3ccccc32)C1- InChIKey
ADBXDHCBNOZFOH-UHFFFAOYSA-N- Molecular formula
- C21H26N2
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.20959884
Names & identifiers
- Preferred name
- Carbazole, 9-(1-propyl-3-piperidyl)methyl-
- IUPAC
- 9-[(1-propylpiperidin-3-yl)methyl]carbazole
- English name
- 9-(1-Propyl-3-piperidylmethyl)-9H-carbazole
- Molecular formula
- C21H26N2
- Molecular weight
- 306.44
Names & synonyms
9-(1-Propyl-3-piperidyl)methylcarbazoleP 911BRN 0426282CARBAZOLE, 9-(1-PROPYL-3-PIPERIDYL)METHYL-67196-17-2RefChem:3332849-[(1-PROPYLPIPERIDIN-3-YL)METHYL]-9H-CARBAZOLEDTXSID909862839-(1-Propyl-3-piperidylmethyl)-9H-carbazole9H-Carbazole, 9-[(1-propyl-3-piperidinyl)methyl]-
Database identifiers
- CAS
67196-17-2- PubChem CID
- 49544
- DTXSID
DTXSID90986283- Nikkaji
- J68.687E
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 8.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 360
Physicochemical properties
- Boiling point
- 460.9 · 460.9±27.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 9.31 · 9.31±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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