i-Propyl 1-methyl-1,2,5,6-tetrahydronicotinate
Basic information
- CAS
10558-56-2- Standard SMILES
CC(C)OC(=O)C1=CCCN(C)C1- InChIKey
UCCRGRWAACBLFP-UHFFFAOYSA-N- Molecular formula
- C10H17NO2
- Average molar mass
- 183.25 g/mol
- Monoisotopic mass
- 183.12592879
Names & identifiers
- Preferred name
- i-Propyl 1-methyl-1,2,5,6-tetrahydronicotinate
- IUPAC
- propan-2-yl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
Names & synonyms
10558-56-2NICOTINIC ACID, 1,2,5,6-TETRAHYDRO-1-METHYL-, ISOPROPYL ESTERBRN 0132010i-Propyl 1-methyl-1,2,5,6-tetrahydronicotinateDTXSID20147204propan-2-yl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate
Database identifiers
- CAS
10558-56-2- PubChem CID
- 25376
- DTXSID
DTXSID20147204- Nikkaji
- J68.324H
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 221
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Compound notes
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