chempirical

2-Isobutyl-3-methylpyrazine

C9H14N2CAS 13925-06-9150.22 g/mol

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Properties

Molecular formula
C9H14N2
Molar mass
150.22 g/mol
Exact mass
150.1157 Da
Density
0.936–0.942 g/mL
Melting point
74 °C
Boiling point
90–92 °C (at 30 Torr)
logP
1.98Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Not classified as hazardous under GHS by 92 ECHA notifiers. Aggregated from 92 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
13925-06-9
SMILES
Cc1nccnc1CC(C)C
InChIKey
ZHMIODDNZRIENW-UHFFFAOYSA-N
InChI
InChI=1S/C9H14N2/c1-7(2)6-9-8(3)10-4-5-11-9/h4-5,7H,6H2,1-3H3

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

5 names
  • Pyrazine, 2-methyl-3-(2-methylpropyl)-
  • Pyrazine, 2-isobutyl-3-methyl-
  • 2-Methyl-3-(2-methylpropyl)pyrazine
  • 2-Methyl-3-isobutylpyrazine
  • 2-Isobutyl-3-methyl pyrazine

Work with 2-Isobutyl-3-methylpyrazine

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Isobutyl-2-methoxypyrazine24683-00-958 % similar 2-Ethyl-3-methylpyrazine15707-23-054 % similar 2-Methyl-3-propylpyrazine15986-80-850 % similar 2,3-Dimethylpyrazine5910-89-446 % similar Isobutylpyrazine29460-92-244 % similar 2-Isobutylthiazole18640-74-939 % similar 2-Isobutylpyridine6304-24-139 % similar 2-Isobutyl-4,5-dimethylthiazole53498-32-137 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Nonanedinitrile1675-69-0 2-Isopropyl-4-methylpyridin-3-amine1698293-93-4 2,3-Diethyl-5-methylpyrazine18138-04-0 4-Dimethylaminobenzylamine19293-58-4 2,4,6-Trimethyl-1,3-phenylenediamine3102-70-3 N-Benzylethylenediamine4152-09-4 3-(Dimethylamino)benzenemethanamine57678-46-3 1-(4-Isopropylphenyl)hydrazine63693-65-2

Elsewhere

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