2,5-Dimethyl-3-propylpyrazine
Basic information
- CAS
18433-97-1- Standard SMILES
CCCc1nc(C)cnc1C- InChIKey
ARRSOXMGLBJPNV-UHFFFAOYSA-N- Molecular formula
- C9H14N2
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.11569846
Overview
2,5-Dimethyl-3-propylpyrazine is a member of pyrazines.
Names & identifiers
- Preferred name
- 2,5-Dimethyl-3-propylpyrazine
- IUPAC
- 2,5-dimethyl-3-propylpyrazine
- English name
- Pyrazine, 2,5-dimethyl-3-propyl- (8CI,9CI)
- Molecular formula
- C9H14N2
- Molecular weight
- 150.22086
Names & synonyms
2,5-Dimethyl-3-propylpyrazine18433-97-1Pyrazine, 2,5-dimethyl-3-propyl-2,5-Dimethyl-3-pyropylpyrazineDTXSID0066375RefChem:82948DTXCID20358592,5-Dimethyl-3-Propyl Pyrazine606-025-9ARRSOXMGLBJPNV-UHFFFAOYSA-N3,6-Dimethyl-2-propylpyrazine2-Propyl-3,6-dimethylpyrazine
Show more names
2,5(6)-Dimethyl-3-propylpyrazine
Pyrazine, 2,5-dimethyl-3-propyl- (8CI,9CI)Pyrazine,2,5-dimethyl-3-propyl-N3XL2ZME6FSCHEMBL10307332SCHEMBL30689655CHEBI:192295HS-35382,5-DIMETHYL-3-PROPYL-PYRAZINE
Database identifiers
- CAS
18433-97-1- PubChem CID
- 87637
- DTXSID
DTXSID0066375- ChEBI
CHEBI:192295- UNII
- N3XL2ZME6F
- EC Number
- 606-025-9
- Nikkaji
- J99.990C
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Odor
- 0.1 % · at 0.10 % in propylene glycol. hazelnut
- Odor Type
- nutty
- LogP
- 1.966 · 1.966 (est)
- EPA Substance Registry System
- 2 · Pyrazine, 2,5-dimethyl-3-propyl- (18433-97-1)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
General Manufacturing InformationPyrazine, 2,5-dimethyl-3-propyl-: INACTIVE
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: 2,5-Dimethyl-3-propylpyrazine is a member of pyrazines.
Suppliers
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Related reactions
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Compound notes
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