Basic information
- CAS
81396-96-5- Standard SMILES
Cn1c2c(c3ccccc31)CCN=C2- InChIKey
OCRBFZVUKADXRT-UHFFFAOYSA-N- Molecular formula
- C12H12N2
- Average molar mass
- 184.24 g/mol
- Monoisotopic mass
- 184.10004839
Names & identifiers
- Preferred name
- 9-Methyl-4,9-dihydro-3H-beta-carboline
- IUPAC
- 9-methyl-3,4-dihydropyrido[3,4-b]indole
Names & synonyms
81396-96-59-Methyl-4,9-dihydro-3H-beta-carboline9-methyl-3,4-dihydropyrido[3,4-b]indoleSCHEMBL9881115DTXSID005091449-Methyl-4,9-dihydro-3H-pyrido[3,4-b]indole
Database identifiers
- CAS
81396-96-5- PubChem CID
- 12759014
- DTXSID
DTXSID00509144- Nikkaji
- J302.214E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 17.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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