Basic information
- CAS
6649-78-1- Standard SMILES
CC(C)(C)C1NCCc2c1[nH]c1ccccc21- InChIKey
JQQSVGOVEHJNQF-UHFFFAOYSA-N- Molecular formula
- C15H20N2
- Average molar mass
- 228.33 g/mol
- Monoisotopic mass
- 228.16264865
Names & identifiers
- Preferred name
- 1-tert-Butyl-2,3,4,9-tetrahydro-1H-beta-carboline
- IUPAC
- 1-tert-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Names & synonyms
A1ECB6649-78-11-tert-Butyl-2,3,4,9-tetrahydro-1H-beta-carboline1-tert-Butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indoleDTXSID00565886
Database identifiers
- CAS
6649-78-1- PubChem CID
- 14946830
- DTXSID
DTXSID00565886- Nikkaji
- J1.399.311D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 27.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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