chempirical

tert-Butylpyrazine

C8H12N2CAS 32741-11-0136.20 g/mol

Open in Covalent MOL file
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Properties

Molecular formula
C8H12N2
Molar mass
136.20 g/mol
Exact mass
136.1000 Da
logP
1.77Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
32741-11-0
SMILES
CC(C)(C)c1cnccn1
InChIKey
YNQZVOWNJKASKQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2/c1-8(2,3)7-6-9-4-5-10-7/h4-6H,1-3H3

Weigh it out

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

Names and synonyms

5 names
  • Pyrazine, 2-(1,1-dimethylethyl)-
  • Pyrazine, (1,1-dimethylethyl)-
  • Pyrazine, tert-butyl-
  • 2-(1,1-Dimethylethyl)pyrazine
  • 2-tert-Butylpyrazine

Work with tert-Butylpyrazine

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

Methylpyrazine109-08-042 % similar Propylpyrazine18138-03-940 % similar 2-Ethylpyrazine13925-00-338 % similar 2-(Methylthio)pyrazine21948-70-938 % similar Isopropylpyrazine29460-90-038 % similar 2-Methoxypyrazine3149-28-838 % similar Chloropyrazine14508-49-737 % similar 4-tert-Butylpyridine3978-81-237 % similar

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

Same formula

Tetramethylpyrazine1124-11-4 2,5-Diethylpyrazine13238-84-1 2-(4-Aminophenyl)ethylamine13472-00-9 2-Ethyl-3,5-dimethylpyrazine13925-07-0 M-Xylylenediamine1477-55-0 2,3-Diethylpyrazine15707-24-1 2,3-Dimethyl-5-ethylpyrazine15707-34-3 2-Methyl-3-propylpyrazine15986-80-8

Elsewhere

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