2-Isopropyl-5-methoxypyrazine
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Basic information
- CAS
56891-99-7- Standard SMILES
COc1cnc(C(C)C)cn1- InChIKey
GSVQZEKWEURMLP-UHFFFAOYSA-N- Molecular formula
- C8H12N2O
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.09496301
Overview
2-Isopropyl-5-methoxypyrazine is an aromatic ether and a member of pyrazines.
Names & identifiers
- Preferred name
- 2-Isopropyl-5-methoxypyrazine
- IUPAC
- 2-methoxy-5-propan-2-ylpyrazine
- English name
- 2-methoxy-5-propan-2-yl-pyrazine
- Molecular formula
- C8H12N2O
- Molecular weight
- 152.2
Names & synonyms
2-Isopropyl-5-methoxypyrazine56891-99-7Pyrazine, 2-methoxy-5-(1-methylethyl)-2-methoxy-5-(propan-2-yl)pyrazine5E1J7NVT2N2-methoxy-5-isopropylpyrazineFEMA NO. 3358, 5-METHOXY-RefChem:4739002-methoxy-5-propan-2-ylpyrazine2-methoxy-5-propan-2-yl-pyrazineUNII-5E1J7NVT2N2-Methoxy-5-(1-methylethyl)pyrazine
Show more names
SCHEMBL179314DTXSID4069139SCHEMBL31472465CHEBI:193686GSVQZEKWEURMLP-UHFFFAOYSA-NDB-293252NS00121735Q27261898
Database identifiers
- CAS
56891-99-7- PubChem CID
- 92558
- DTXSID
DTXSID4069139- ChEBI
CHEBI:193686- UNII
- 5E1J7NVT2N
- Nikkaji
- J429.326F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 117
Physicochemical properties
- FEMA
- 3358 · 3358 | 2-METHOXY-3(5 AND 6)-ISOPROPYLPYRAZINE
- JECFA Number
- 790 · 790
- FDA UNII
- 5 E1J7NVT2N · 5E1J7NVT2N
- EPA Substance Registry System
- 2 · Pyrazine, 2-methoxy-5-(1-methylethyl)- (56891-99-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Pyrazine, 2-methoxy-5-(1-methylethyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
General Manufacturing InformationPyrazine, 2-methoxy-5-(1-methylethyl)-: INACTIVE
Additional notes
DefinitionChEBI: 2-Isopropyl-5-methoxypyrazine is an aromatic ether and a member of pyrazines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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