2-Pyridinecarbamic acid, 5-methyl-, ethyl ester
Basic information
- CAS
41322-67-2- Standard SMILES
CCOC(=O)Nc1ccc(C)cn1- InChIKey
LFWDOAOPDAIEKD-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.08987763
Names & identifiers
- Preferred name
- 2-Pyridinecarbamic acid, 5-methyl-, ethyl ester
- IUPAC
- ethyl N-(5-methyl-2-pyridinyl)carbamate
- English name
- ethyl N-(5-methylpyridin-2-yl)carbamate
- Molecular formula
- C9H12N2O2
- Molecular weight
- 180.2
Names & synonyms
41322-67-22-Pyridinecarbamic acid, 5-methyl-, ethyl ester6-Methyl-2-pyridylurethane5-Methyl-2-pyridinecarbamic acid ethyl esterBRN 0141894DTXSID401942955-22-09-00294 (Beilstein Handbook Reference)RefChem:266589DTXCID50116786ethyl N-(5-methylpyridin-2-yl)carbamateethyl (5-methylpyridin-2-yl)carbamateChemDiv2_000487
Show more names
Carbamic acid, (5-methyl-2-pyridinyl)-, ethylesterCarbamic acid, (5-methyl-2-pyridinyl)-, ethyl ester (9CI)
HMS1370G03ethyl 5-methyl-2-pyridinylcarbamateSTK457051AKOS003253803ethyl N-(5-methyl-2-pyridyl)carbamateDB-050060ethoxy-N-(5-methyl(2-pyridyl))carboxamideCS-0362990
Database identifiers
- CAS
41322-67-2- PubChem CID
- 218942
- DTXSID
DTXSID40194295- Nikkaji
- J78.914C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Melting point
- 144.5 · 144.5-145.5 °C(Solv: ethanol (64-17-5))
- Boiling point
- 250.2 · 250.2±28.0 °C(Predicted)
- Density
- 1.163 · 1.163±0.06 g/cm3(Predicted)
- pka
- 12.56 · 12.56±0.70(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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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