Basic information
- CAS
14906-63-9- Standard SMILES
CCOC(=O)c1ccc[n+]([O-])c1- InChIKey
HPFQJBOXPBNOJK-UHFFFAOYSA-N- Molecular formula
- C8H9NO3
- Average molar mass
- 167.16 g/mol
- Monoisotopic mass
- 167.05824315
Names & identifiers
- Preferred name
- 3-(Ethoxycarbonyl)pyridin-1-ium-1-olate
- IUPAC
- ethyl 1-oxidopyridin-1-ium-3-carboxylate
- English name
- ethyl 1-oxidopyridin-1-ium-3-carboxylate
- Molecular formula
- C8H9NO3
- Molecular weight
- 167.16
Names & synonyms
3-(ethoxycarbonyl)pyridin-1-ium-1-olate14906-63-9ethyl 1-oxidopyridin-1-ium-3-carboxylate3-(Ethoxycarbonyl)pyridine 1-oxideMLS0026939583-Pyridinecarboxylic acid, ethyl ester, 1-oxideNSC75655NCIOpen2_000699SCHEMBL48626983-ethoxycarbonylpyridine N-oxideCHEMBL1876932DTXSID20291453
Show more names
Nicorandil Impurity 41ethyl nicotinate 1-oxide
HPFQJBOXPBNOJK-UHFFFAOYSA-NHMS3079L19PAA90663NSC-75655NSC207859NSC-207859SMR001559895DB-128438
Database identifiers
- CAS
14906-63-9- PubChem CID
- 253138
- DTXSID
DTXSID20291453- ChEMBL
CHEMBL1876932- EC Number
- 155-784-8
- Nikkaji
- J348.051H
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers9 total
怀化元研达生物技术有限责任公司18711085600 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
济南凯西生物科技有限公司13370511208 15853141736 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
Related reactions
2 records
Compound notes
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