Basic information
- CAS
21684-59-3- Standard SMILES
CCOC(=O)c1ccc(C)nc1- InChIKey
FEWVINDUUUHRKM-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- Ethyl 6-methylnicotinate
- IUPAC
- ethyl 6-methylpyridine-3-carboxylate
- English name
- Ethyl 6-methylpyridine-3-carboxylate
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
Ethyl 6-methylnicotinate21684-59-3DTXSID00300133RefChem:1085001DTXCID10251268ethyl 6-methylpyridine-3-carboxylateMFCD002345516-Methyl-nicotinicacidethylesterSCHEMBL6591396-methyl nicotinic acid ethyl ester3-Pyridinecarboxylic acid, 6-methyl-, ethyl esterAMY4874
Show more names
6-methyl-3-pyridinecarboxylic acid ethyl ester6-Methylpyridine-3-carboxylic acid ethyl esterETHYL 6-METHYLPYRIDINE-3-CARBOXYLATE ISO 9001：2015 REACH
BCP27490SCHEMBL11741705NSC135041AKOS009166023NSC-135041PB19876SB10542DS-14191
Database identifiers
- CAS
21684-59-3- PubChem CID
- 281994
- DTXSID
DTXSID00300133- Nikkaji
- J1.607.926J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Boiling point
- 130 °C · 130 °C(Press: 15 Torr)
- Density
- 1.077 · 1.077±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 4.02 · 4.02±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C9H11NO2/c1-3-12-9(11)8-5-4-7(2)10-6-8/h4-6H,3H2,1-2H3
- InChIKey
- FEWVINDUUUHRKM-UHFFFAOYSA-N
- SMILES
- C1=NC(C)=CC=C1C(OCC)=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers66 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
Suzhou ARTK Medchem Co., Ltd.
Related reactions
12 records
Compound notes
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