Basic information
- CAS
39744-92-8- Standard SMILES
Cl.c1ccc(Cn2c3c(c4cnccc42)CCCC3)cc1- InChIKey
PJTGEWRUOVMBIR-UHFFFAOYSA-N- Molecular formula
- C18H19ClN2
- Average molar mass
- 298.8 g/mol
- Monoisotopic mass
- 298.1236763
Names & identifiers
- Preferred name
- 5H-Pyrido(4,3-b)indole, 6,7,8,9-tetrahydro-5-benzyl-, monohydrochloride
- IUPAC
- 5-benzyl-6,7,8,9-tetrahydropyrido[4,3-b]indole;hydrochloride
Names & synonyms
39744-92-85-Benzyl-6,7,8,9-tetrahydro-5H-pyrido(4,3-b)indole monohydrochloride5H-Pyrido(4,3-b)indole, 6,7,8,9-tetrahydro-5-benzyl-, monohydrochloride9-Benzyl-5,6,7,8-tetrahydro-gamma-carboline hydrochlorideDTXSID10192829RefChem:305770DTXCID001153205-Benzyl-6,7,8,9-tetrahydro-5H-pyrido[4,3-b]indole hydrochloride5-Benzyl-6,7,8,9-tetrahydro-5H-pyrido[4,3-b]indole--hydrogen chloride (1/1)
Database identifiers
- CAS
39744-92-8- PubChem CID
- 217856
- DTXSID
DTXSID10192829
Properties
Computed structural properties
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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