6-Cyclohexyl-2,3,4,9-tetrahydro-1H-carbazol-1-one
Basic information
- CAS
135897-70-0- Standard SMILES
O=C1CCCc2c1[nH]c1ccc(C3CCCCC3)cc21- InChIKey
VSAHOUURMCGEEP-UHFFFAOYSA-N- Molecular formula
- C18H21NO
- Average molar mass
- 267.4 g/mol
- Monoisotopic mass
- 267.16231429
Names & identifiers
- Preferred name
- 6-Cyclohexyl-2,3,4,9-tetrahydro-1H-carbazol-1-one
- IUPAC
- 6-cyclohexyl-2,3,4,9-tetrahydrocarbazol-1-one
- English name
- 6-Cyclohexyl-2,3,4,9-tetrahydro-carbazol-1-one
- Molecular formula
- C18H21NO
- Molecular weight
- 267.37
Names & synonyms
6-Cyclohexyl-2,3,4,9-tetrahydro-1H-carbazol-1-one135897-70-0DTXSID90336522RefChem:308168DTXCID402876116-cyclohexyl-2,3,4,9-tetrahydrocarbazol-1-one6-cyclohexyl-2,3,4,9-tetrahydro-4aH-carbazol-1-oneOprea1_361711Oprea1_861724SCHEMBL9849084VSAHOUURMCGEEP-UHFFFAOYSA-NKFA89770
Show more names
6-Cyclohexyl-2,3,4,9-tetrahydro-carbazol-1-one1H-Carbazol-1-one, 6-cyclohexyl-2,3,4,9-tetrahydro-
BBL023041MFCD00427056SBB080670STK748995AKOS001618313ST016590VS-07311SR-01000457511
Database identifiers
- CAS
135897-70-0- PubChem CID
- 534282
- DTXSID
DTXSID90336522
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 374
Physicochemical properties
- Boiling point
- 474.6 · 474.6±14.0 °C(Predicted)
- Density
- 1.18 · 1.180±0.06 g/cm3(Predicted)
- pka
- 15.3 · 15.30±0.20(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…