Tetramethylpyrazine
Properties
- Molecular formula
- C8H12N2
- Molar mass
- 136.20 g/mol
- Exact mass
- 136.1000 Da
- Melting point
- 84–86 °C
- Boiling point
- 190 °C
- logP
- 1.71Crippen estimate
- Polar surface area
- 25.8 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
Aggregated from 1,685 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
1124-11-4SMILES
Cc1nc(C)c(C)nc1CInChIKey
FINHMKGKINIASC-UHFFFAOYSA-NInChI
InChI=1S/C8H12N2/c1-5-6(2)10-8(4)7(3)9-5/h1-4H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- Pyrazine, 2,3,5,6-tetramethyl-
- Pyrazine, tetramethyl-
- 2,3,5,6-Tetramethylpyrazine
- BS factor
- Ligustrazine
- Tetrapyrazine
- Chuanxingzine
- Ligustrazin
- NSC 36080
- NSC 46451
Work with Tetramethylpyrazine
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
2,3-Dimethylquinoxaline2379-55-747 % similar
2,3,5-Trimethylpyrazine14667-55-142 % similar
Dimethyl-1,2,5-oxadiazole4975-21-740 % similar
2,3-Dimethylpyrazine5910-89-440 % similar
2,4,6-Trimethyl-1,3,5-triazine823-94-938 % similar
2,3,6-Trimethylquinoxaline17635-21-136 % similar
2,4,5-Trimethylthiazole13623-11-535 % similar
Trimethyloxazole20662-84-435 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.