Basic information
- CAS
93101-56-5- Standard SMILES
CCOC(=O)C1=C(C)CC[NH+](C)C1.[Cl-]- InChIKey
OKJAULUGMGEONM-UHFFFAOYSA-N- Molecular formula
- C10H18ClNO2
- Average molar mass
- 219.71 g/mol
- Monoisotopic mass
- 219.1026065
Names & identifiers
- Preferred name
- Nicotinic acid, 1,2,5,6-tetrahydro-1,4-dimethyl-, ethyl ester, hydrochloride
- IUPAC
- ethyl 1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylate chloride
Names & synonyms
93101-56-5NICOTINIC ACID, 1,2,5,6-TETRAHYDRO-1,4-DIMETHYL-, ETHYL ESTER, HYDROCHLORIDERefChem:1092392Ethyl 1,4-dimethyl-1,2,5,6-tetrahydronicotinate hydrochloride
Database identifiers
- CAS
93101-56-5- PubChem CID
- 56546
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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