Basic information
- CAS
6678-85-9- Standard SMILES
CC1(C)NCCc2c1[nH]c1ccccc21- InChIKey
WZVZLIGRQSJGAJ-UHFFFAOYSA-N- Molecular formula
- C13H16N2
- Average molar mass
- 200.28 g/mol
- Monoisotopic mass
- 200.13134852
Names & identifiers
- Preferred name
- 1,1-Dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole
- IUPAC
- 1,1-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole
Names & synonyms
6678-85-91,1-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indoleNSC298847SCHEMBL12592476DTXSID70316044NSC-2988471,1-Dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Database identifiers
- CAS
6678-85-9- PubChem CID
- 326786
- DTXSID
DTXSID70316044- Nikkaji
- J1.637.883F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 27.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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