Ethyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate
Basic information
- CAS
28125-84-0- Standard SMILES
CCOC(=O)C1=CCCN(C)C1- InChIKey
UNARQANIGOBIHM-UHFFFAOYSA-N- Molecular formula
- C9H15NO2
- Average molar mass
- 169.22 g/mol
- Monoisotopic mass
- 169.11027872
Overview
Homoarecoline is a citraconoyl group.
Names & identifiers
- Preferred name
- Ethyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate
- IUPAC
- ethyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
- English name
- 1,2,5,6-Tetrahydro-1-methylpyridine-3-carboxylic acid ethyl ester
- Molecular formula
- C9H15NO2
- Molecular weight
- 169.22
Names & synonyms
ethyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylateHomoarecolineethyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate6H6C253KKJRefChem:108471928125-84-0Ethyl 1-methyl-1,2,5,6-tetrahydronicotinateArecaidine Ethyl EsterArecaidine-ethyl esterBRN 0125290NICOTINIC ACID, 1,2,5,6-TETRAHYDRO-1-METHYL-, ETHYL ESTER3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-, ethyl ester
Show more names
Ethyl=1-methyl-1,2,5,6-tetrahydro-3-pyridinecarboxylate1,2,5,6-Tetrahydro-1-methyl-3-pyridinecarboxylic acid ethyl ester
SCHEMBL7276350Ethyl1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylateDTXSID30182404CHEBI:166574UNARQANIGOBIHM-UHFFFAOYSA-N1,2,5,6-Tetrahydro-1-methylpyridine-3-carboxylic acid ethyl esterAKOS015850968DB-067884
Database identifiers
- CAS
28125-84-0- PubChem CID
- 34167
- DTXSID
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Boiling point
- 228.8 · 228.8±28.0 °C(Predicted)
- Density
- 1.038 · 1.038±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 7.92 · 7.92±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Additional notes
DefinitionChEBI: Homoarecoline is a citraconoyl group.
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Compound notes
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