Basic information
- CAS
52632-29-8- Standard SMILES
COC(=O)C1=CC[NH+](C)CC1.[Cl-]- InChIKey
ACZLGIGMHGHJGH-UHFFFAOYSA-N- Molecular formula
- C8H14ClNO2
- Average molar mass
- 191.65 g/mol
- Monoisotopic mass
- 191.0713064
Names & identifiers
- Preferred name
- Isonicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrochloride
- IUPAC
- methyl 1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-carboxylate chloride
Names & synonyms
ISONICOTINIC ACID, 1,2,5,6-TETRAHYDRO-1-METHYL-, METHYL ESTER, HYDROCHLORIDERefChem:108761052632-29-8Methyl 1-methyl-1,2,3,6-tetrahydroisonicotinate hydrochloridemethyl 1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-carboxylate;chloride
Database identifiers
- CAS
52632-29-8- PubChem CID
- 40461
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- 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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