Basic information
- CAS
3380-72-1- Standard SMILES
Cl.Oc1ccccc1C1NCCc2c1[nH]c1ccccc21- InChIKey
IMCALXPFACLDFO-UHFFFAOYSA-N- Molecular formula
- C17H17ClN2O
- Average molar mass
- 300.8 g/mol
- Monoisotopic mass
- 300.1029409
Names & identifiers
- Preferred name
- Phenol, o-(1,2,3,4-tetrahydro-9H-pyrido(3,4-b)indol-1-yl)-, hydrochloride
- IUPAC
- 2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;hydrochloride
Names & synonyms
1-(2-Hydroxyphenyl)tetrahydronorharman hydrochloridePhenol, o-(1,2,3,4-tetrahydro-9H-pyrido(3,4-b)indol-1-yl)-, hydrochloride3380-72-1RefChem:369388DTXSID509553792-(2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol--hydrogen chloride (1/1)
Database identifiers
- CAS
3380-72-1- PubChem CID
- 201167
- DTXSID
DTXSID50955379
Properties
Computed structural properties
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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