1H-Pyrido(3,4-b)indole, 1-(2-chlorophenyl)-2,3,4,9-tetrahydro-, hydrochloride (1:1)
Basic information
- CAS
3380-79-8- Standard SMILES
Cl.Clc1ccccc1C1NCCc2c1[nH]c1ccccc21- InChIKey
BXFHINAHGVDUKU-UHFFFAOYSA-N- Molecular formula
- C17H16Cl2N2
- Average molar mass
- 319.2 g/mol
- Monoisotopic mass
- 318.0690539
Names & identifiers
- Preferred name
- 1H-Pyrido(3,4-b)indole, 1-(2-chlorophenyl)-2,3,4,9-tetrahydro-, hydrochloride (1:1)
- IUPAC
- 1-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
Names & synonyms
3380-79-8RefChem:10585181H-Pyrido(3,4-b)indole, 1-(2-chlorophenyl)-2,3,4,9-tetrahydro-, hydrochloride (1:1)1-(2-Chlorophenyl)tetrahydronorharman hydrochloride9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-1-(o-chlorophenyl)-, hydrochlorideDTXSID009553841-(2-Chlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole--hydrogen chloride (1/1)
Database identifiers
- CAS
3380-79-8- PubChem CID
- 201177
- DTXSID
DTXSID00955384
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
- 348
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Compound notes
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