Basic information
- CAS
51037-35-5- Standard SMILES
CCOC(=O)c1c[n+]([O-])c(C)cn1- InChIKey
LELTZNKIJPKMAU-UHFFFAOYSA-N- Molecular formula
- C8H10N2O3
- Average molar mass
- 182.18 g/mol
- Monoisotopic mass
- 182.06914219
Names & identifiers
- Preferred name
- 5-(Ethoxycarbonyl)-2-methylpyrazin-1-ium-1-olate
- IUPAC
- ethyl 5-methyl-4-oxidopyrazin-4-ium-2-carboxylate
Names & synonyms
51037-35-55-(Ethoxycarbonyl)-2-methylpyrazin-1-ium-1-olateRefChem:531227849-630-55-methylpyrazinecarboxylic acid-4-oxide, ethyl esterethyl 5-methyl-4-oxidopyrazin-4-ium-2-carboxylateAcipimox impurity 215-(Ethoxycarbonyl)-2-methylpyrazine 1-oxideSCHEMBL11006290BCA03735EN300-7544954
Database identifiers
- CAS
51037-35-5- PubChem CID
- 11615285
- EC Number
- 849-630-5
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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