Ethyl 5-[3-(dimethylamino)prop-1-ynyl]nicotinate
Basic information
- CAS
175203-71-1- Standard SMILES
CCOC(=O)c1cncc(C#CCN(C)C)c1- InChIKey
LXTGZZKFUKFABN-UHFFFAOYSA-N- Molecular formula
- C13H16N2O2
- Average molar mass
- 232.28 g/mol
- Monoisotopic mass
- 232.12117776
Names & identifiers
- Preferred name
- Ethyl 5-[3-(dimethylamino)prop-1-ynyl]nicotinate
- IUPAC
- ethyl 5-[3-(dimethylamino)prop-1-ynyl]pyridine-3-carboxylate
- English name
- Ethyl 5-[3-(dimethylamino)prop-1-ynyl]nicotinate
- Molecular formula
- C13H16N2O2
- Molecular weight
- 232.28
Names & synonyms
175203-71-1ethyl 5-[3-(dimethylamino)prop-1-ynyl]nicotinateethyl 5-[3-(dimethylamino)prop-1-ynyl]pyridine-3-carboxylateethyl 5-[3-(dimethylamino)prop-1-yn-1-yl]pyridine-3-carboxylate3-Pyridinecarboxylic acid, 5-[3-(dimethylamino)-1-propyn-1-yl]-, ethyl esterEthyl 5-(3-(dimethylamino)prop-1-yn-1-yl)nicotinateSCHEMBL14156001DTXSID00381341MFCD00178751SBB097947AKOS015908613DB-044114
Show more names
BUTTPARK 95\04-05Ethyl 5-[3-(dimethylamino)prop-1-ynyl]nicotinate, techETHYL 5-(3-(DIMETHYLAMINO)PROP-1-YN-1-YL)PYRIDINE-3-CARBOXYLATE
Database identifiers
- CAS
175203-71-1- PubChem CID
- 2779239
- DTXSID
DTXSID00381341
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Boiling point
- 343.4 · 343.4±37.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 7.38 · 7.38±0.28(Predicted)
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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