1,2,3,6-Tetrahydro-2,2,6,6-tetramethyl-4-pyridinecarboxylic acid, methyl ester
Basic information
- CAS
70644-44-9- Standard SMILES
COC(=O)C1=CC(C)(C)NC(C)(C)C1- InChIKey
DLCYEHVZFWZKKD-UHFFFAOYSA-N- Molecular formula
- C11H19NO2
- Average molar mass
- 197.27 g/mol
- Monoisotopic mass
- 197.14157885
Names & identifiers
- Preferred name
- 1,2,3,6-Tetrahydro-2,2,6,6-tetramethyl-4-pyridinecarboxylic acid, methyl ester
- IUPAC
- methyl 2,2,6,6-tetramethyl-1,3-dihydropyridine-4-carboxylate
- English name
- 1,2,3,6-Tetrahydro-2,2,6,6-tetramethyl-4-pyridinecarboxylic acid methyl ester
- Molecular formula
- C11H19NO2
- Molecular weight
- 197.28
Names & synonyms
70644-44-91,2,3,6-Tetrahydro-2,2,6,6-tetramethyl-4-pyridinecarboxylic acid, methyl esterDTXSID80720834-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-2,2,6,6-tetramethyl-, methyl esterRefChem:410649DTXCID1046718methyl 2,2,6,6-tetramethyl-1,2,3,6-tetrahydropyridine-4-carboxylateDLCYEHVZFWZKKD-UHFFFAOYSA-N1,2,3,6-Tetrahydro-2,2,6,6-tetramethyl-4-pyridinecarboxylic acid methyl ester
Database identifiers
- CAS
70644-44-9- PubChem CID
- 112443
- DTXSID
DTXSID8072083- Nikkaji
- J441.351B
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,2,3,6-Tetrahydro-2,2,6,6-tetramethyl-4-pyridinecarboxylic acid, methyl ester (70644-44-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-2,2,6,6-tetramethyl-, methyl ester: INACTIVE
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Related reactions
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Compound notes
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