Basic information
- CAS
35516-99-5- Standard SMILES
C#CCOC(=O)C1=CCCN(C)C1- InChIKey
SPHRJZBOFYIKMC-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Overview
1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid prop-2-ynyl ester is a dihydropyridine.
Names & identifiers
- Preferred name
- Arecaidine Propargyl Ester
- IUPAC
- prop-2-ynyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
- English name
- Arecaidine propargyl ester hydrobromide solid
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.22
Names & synonyms
Arecaidine propargyl ester35516-99-5DTXSID30274358prop-2-ynyl 1-methyl-5,6-dihydro-2H-pyridine-3-carboxylate1-Methyl-1,2,5,6-tetrahydropyridine-3-carboxylic acid, 2-propynyl esterRefChem:113801DTXCID40199503SPHRJZBOFYIKMC-UHFFFAOYSA-Nprop-2-ynyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-, 2-propynyl ester3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-, 2-butynyl ester,4-methylbenzenesulfonateNCGC00015006-01
Show more names
Arecaidine-propargyl esterArecaidine propargyl ester hydrobromide solid1,2,5,6-Tetrahydro-1-methyl-3-pyridinecarboxylic acid 2-propynyl ester3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-, 2-propyn-1-yl ester
Lopac-A-140arecaidine-propargyl-esterLopac0_000136GTPL295CHEMBL128365SCHEMBL13184690CHEBI:92418BDBM50475680
Properties
Computed structural properties
- XLogP
- 0.5
- 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
- 272
Physicochemical properties
- Boiling point
- 252.5 · 252.5±40.0 °C(Predicted)
- Density
- 1.098 · 1.098±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: soluble
- form
- solid
- pka
- 7.68 · 7.68±0.40(Predicted)
- color
- white
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
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
- wgk
- 3
- safety_code
- 22-24/25
Chemistry & industry
Suppliers1 total
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
Additional notes
DefinitionChEBI: 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid prop-2-ynyl ester is a dihydropyridine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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