(2S)-3,6-dimethoxy-2,5-dimethyl-1,2-dihydropyrazine
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Basic information
- CAS
774491-37-1- Standard SMILES
COC1=NC(C)=C(OC)N[C@H]1C- InChIKey
CSHHYPBNPAWSLY-YFKPBYRVSA-N- Molecular formula
- C8H14N2O2
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.10552769
Names & identifiers
- Preferred name
- (2S)-3,6-dimethoxy-2,5-dimethyl-1,2-dihydropyrazine
- IUPAC
- (2S)-3,6-dimethoxy-2,5-dimethyl-1,2-dihydropyrazine
- English name
- Pyrazine, 1,2-dihydro-3,6-dimethoxy-2,5-dimethyl-, (S)- (9CI)
- Molecular formula
- C8H14N2O2
- Molecular weight
- 170.21
Names & synonyms
774491-37-1Pyrazine, 1,2-dihydro-3,6-dimethoxy-2,5-dimethyl-, (2S)-Pyrazine, 1,2-dihydro-3,6-dimethoxy-2,5-dimethyl-, (S)- (9CI)
Database identifiers
- CAS
774491-37-1- PubChem CID
- 14132075
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Boiling point
- 246.2 · 246.2±50.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 9.63 · 9.63±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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