Basic information
- CAS
81256-84-0- Standard SMILES
CCCOC(=O)C1=CCNCC1- InChIKey
PBMDISAJJZPQKQ-UHFFFAOYSA-N- Molecular formula
- C9H15NO2
- Average molar mass
- 169.22 g/mol
- Monoisotopic mass
- 169.11027872
Names & identifiers
- Preferred name
- Isoguvacine propyl ester
- IUPAC
- propyl 1,2,3,6-tetrahydropyridine-4-carboxylate
- English name
- isoguvacine propyl ester
- Molecular formula
- C9H15NO2
- Molecular weight
- 169.2209
Names & synonyms
Isoguvacine propyl esterIGPE81256-84-0DTXSID502309914-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-, propyl esterRefChem:149397DTXCID80153482propyl 1,2,3,6-tetrahydropyridine-4-carboxylateSCHEMBL11558516
Database identifiers
- CAS
81256-84-0- PubChem CID
- 196191
- DTXSID
DTXSID50230991
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 187
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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