2,3-Dimethyl-5-isopropylpyrazine
Basic information
- CAS
40790-21-4- Standard SMILES
Cc1ncc(C(C)C)nc1C- InChIKey
JTIYGJBEUZEJAB-UHFFFAOYSA-N- Molecular formula
- C9H14N2
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.11569846
Names & identifiers
- Preferred name
- 2,3-Dimethyl-5-isopropylpyrazine
- IUPAC
- 2,3-dimethyl-5-propan-2-ylpyrazine
- English name
- 2,3-DIMETHYL-5-ISOPROPYLPYRAZINE
- Molecular formula
- C9H14N2
- Molecular weight
- 150.22
Names & synonyms
40790-21-42,3-dimethyl-5-isopropylpyrazineDTXSID50335950RefChem:245038DTXCID80287039JTIYGJBEUZEJAB-UHFFFAOYSA-N5-isopropyl-2,3-dimethylpyrazine2,3-dimethyl-5-propan-2-ylpyrazine2,3-dimethyl-5-(propan-2-yl)pyrazineCHEMBL95042SCHEMBL6129987SCHEMBL30585581
Show more names
5-Isopropyl-2，3-dimethylpyrazinPyrazine, 2,3-dimethyl-5-(1-methylethyl)-2,3-Dimethyl-5-isopropylpyrazine USP/EP/BPPyrazine, 2,3-dimethyl-5-(1-methylethyl)- (9CI)
5-Isopropyl-2,3-dimethyl-pyrazineMFCD06200808AKOS006294965DB-049656Pyrazine, 2,3-dimethyl-5-(1-methylethyl)
Database identifiers
- CAS
40790-21-4- PubChem CID
- 528109
- DTXSID
DTXSID50335950- ChEMBL
CHEMBL95042- Nikkaji
- J928.563F
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 123
Physicochemical properties
- Boiling point
- 206.9 · 206.9±35.0 °C(Predicted)
- Density
- 0.947 · 0.947±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.5 · 2.50±0.10(Predicted)
- Specific Gravity
- 0.93 · 0.93
- LogP
- 1.886 · 1.886 (est)
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Compound notes
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