CAS 83056-59-1 Pyrazine, 2-methoxymethyl-5-methyl-, 4-oxide (HCID 3068148)

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Basic information

CAS: 83056-59-1
Standard SMILES: COCc1c[n+]([O-])c(C)cn1
InChIKey: KKKHJYGCTVKQEM-UHFFFAOYSA-N
Molecular formula: C7H10N2O2
Average molar mass: 154.17 g/mol
Monoisotopic mass: 154.07422756

Names & identifiers

Preferred name: Pyrazine, 2-methoxymethyl-5-methyl-, 4-oxide
IUPAC: 5-(methoxymethyl)-2-methyl-1-oxidopyrazin-1-ium
English name: 2-Methoxymethyl-5-methylpyrazine 4-oxide
Molecular formula: C7H10N2O2
Molecular weight: 154.17

Names & synonyms

83056-59-1FCE 219905-(METHOXYMETHYL)-2-METHYLPYRAZIN-1-IUM-1-OLATEPyrazine, 2-methoxymethyl-5-methyl-, 4-oxide2-Methoxymethyl-5-methylpyrazine 4-oxideBRN 4980071DTXSID20232149RefChem:870437DTXCID70154640849-259-95-(methoxymethyl)-2-methyl-1-oxidopyrazin-1-iumproacipimox

Show more names

Pyrazine, 2-(methoxymethyl)-5-methyl-, 4-oxide

2-methoxymethyl-5-methylpyrazine-4-oxideCHEMBL4303627SCHEMBL10521047KKKHJYGCTVKQEM-UHFFFAOYSA-NEBC-12421FCE-21990AKOS006278195EN300-253205

Database identifiers

CAS: 83056-59-1
PubChem CID: 3068148
DTXSID: DTXSID20232149
ChEMBL: CHEMBL4303627
EC Number: 849-259-9
Nikkaji: J326.023B

Properties

Computed structural properties

XLogP: -1.1
Topological polar surface area: 47.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 121

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 332 · H332-H312-H319-H335-H302-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

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, P317, 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%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H332-H312-H319-H335-H302-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501