Basic information
- CAS
108477-28-7- Standard SMILES
Cl.Cl.O=C(OC(CN1CCCC1)c1ccccc1)c1ccncc1- InChIKey
YOSPOZCENYCNSJ-UHFFFAOYSA-N- Molecular formula
- C18H22Cl2N2O2
- Average molar mass
- 369.3 g/mol
- Monoisotopic mass
- 368.1058333
Names & identifiers
- Preferred name
- 1-Phenyl-2-(pyrrolidin-1-yl)ethyl pyridine-4-carboxylate--hydrogen chloride (1/2)
- IUPAC
- (1-phenyl-2-pyrrolidin-1-ylethyl) pyridine-4-carboxylate;dihydrochloride
Names & synonyms
108477-28-7DTXSID509107411-Phenyl-2-(pyrrolidin-1-yl)ethyl pyridine-4-carboxylate--hydrogen chloride (1/2)RefChem:1056310DTXCID701339786ISONICOTINIC ACID, alpha-(1-PYRROLIDINYLMETHYL)BENZYL ESTER, DIHYDROCHLORIDE
Database identifiers
- CAS
108477-28-7- PubChem CID
- 60249
- DTXSID
DTXSID50910741
Properties
Computed structural properties
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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