Basic information
- CAS
126291-30-3- Standard SMILES
CCCCCOC(=O)c1cc2c(cn1)[nH]c1ccccc12.Cl- InChIKey
DPPALFZLMBOURC-UHFFFAOYSA-N- Molecular formula
- C17H19ClN2O2
- Average molar mass
- 318.8 g/mol
- Monoisotopic mass
- 318.1135055
Names & identifiers
- Preferred name
- 9H-Pyrido(3,4-b)indole-3-carboxylic acid, pentyl ester, monohydrochloride
- IUPAC
- pentyl 9H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride
Names & synonyms
9H-Pyrido(3,4-b)indole-3-carboxylic acid, pentyl ester, monohydrochloridebeta-Carboline-3-carboxylic acid pentyl ester hydrochloride126291-30-3DTXSID90155134RefChem:313711DTXCID2077625Pentyl 9H-pyrido[3,4-b]indole-3-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
126291-30-3- PubChem CID
- 3079679
- DTXSID
DTXSID90155134
Properties
Computed structural properties
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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