9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-1-(p-chlorophenyl)-, hydrochloride
Basic information
- CAS
3380-80-1- Standard SMILES
Cl.Clc1ccc(C2NCCc3c2[nH]c2ccccc32)cc1- InChIKey
WAYFRBZAAYCKDW-UHFFFAOYSA-N- Molecular formula
- C17H16Cl2N2
- Average molar mass
- 319.2 g/mol
- Monoisotopic mass
- 318.0690539
Names & identifiers
- Preferred name
- 9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-1-(p-chlorophenyl)-, hydrochloride
- IUPAC
- 1-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
- English name
- 1-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride
- Molecular formula
- C17H16Cl2N2
- Molecular weight
- 319.22834
Names & synonyms
3380-80-11-(p-Chlorophenyl)tetrahydronorharman hydrochloride9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-1-(p-chlorophenyl)-, hydrochlorideRefChem:3136391-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride1-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride1-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochlorideMFCD01690472C17H16Cl2N2SCHEMBL18669413DTXSID60955385AKOS015846032
Show more names
1-(4-Chlorophenyl)-2,3,4,9-tetrahydro-1h-beta-carboline
1-(4-Chlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole--hydrogen chloride (1/1)CS-04512411-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indolehydrochloride
Database identifiers
- CAS
3380-80-1- PubChem CID
- 201179
- DTXSID
DTXSID60955385
Properties
Computed structural properties
- Topological polar surface area
- 27.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
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Compound notes
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