3-Tert-butyl-9-methyl-1,2,3,4-tetrahydrocarbazole
Basic information
- CAS
22401-72-5- Standard SMILES
Cn1c2c(c3ccccc31)CC(C(C)(C)C)CC2- InChIKey
CXVUJERJVUDHDY-UHFFFAOYSA-N- Molecular formula
- C17H23N
- Average molar mass
- 241.37 g/mol
- Monoisotopic mass
- 241.18304974
Names & identifiers
- Preferred name
- 3-Tert-butyl-9-methyl-1,2,3,4-tetrahydrocarbazole
- IUPAC
- 3-tert-butyl-9-methyl-1,2,3,4-tetrahydrocarbazole
Names & synonyms
22401-72-5NSC 1761093-tert-butyl-9-methyl-1,2,3,4-tetrahydrocarbazoleNSC176109DTXSID80306411NSC-176109DS-0086413-tert-butyl-9-methyl-2,3,4,9-tetrahydro-1H-carbazole1H-carbazole,3-(1,1-dimethylethyl)-2,3,4,9-tetrahydro-9-methyl-
Database identifiers
- CAS
22401-72-5- PubChem CID
- 300786
- DTXSID
DTXSID80306411
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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