Basic information
- CAS
41337-78-4- Standard SMILES
CCOC(=O)c1cccc(CC)n1- InChIKey
VRJCFLQYJFNQKU-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- Ethyl 6-ethylpicolinate
- IUPAC
- ethyl 6-ethylpyridine-2-carboxylate
- English name
- Ethyl 6-ethylpicolinate
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.22
Names & synonyms
Ethyl 6-ethylpicolinate41337-78-4DTXSID80440682RefChem:344560DTXCID80391504Ethyl 6-ethylpyridine-2-carboxylateEthyl6-ethylpicolinateSCHEMBL127153SCHEMBL7336055VRJCFLQYJFNQKU-UHFFFAOYSA-NEthyl 6-ethyl-2-pyridinecarboxylateSB54393
Show more names
2-Pyridinecarboxylic acid, 6-ethyl-, ethyl ester
DB-401537
Database identifiers
- CAS
41337-78-4- PubChem CID
- 10487577
- DTXSID
DTXSID80440682- Nikkaji
- J371.426H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Boiling point
- 278.1 · 278.1±28.0 °C(Predicted)
- Density
- 1.055 · 1.055±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.04 · 2.04±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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 statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
上海昂提生物科技有限公司13764913901 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
1 records
Compound notes
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