chempirical

Vinylpyrazine

C6H6N2CAS 4177-16-6106.13 g/mol

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NN
Alkene

Properties

Molecular formula
C6H6N2
Molar mass
106.13 g/mol
Exact mass
106.0531 Da
Density
1.046 g/mL (at 20 °C)
Boiling point
61 °C (at 20 Torr)
logP
1.12Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Irritant (GHS07)

Aggregated from 135 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
4177-16-6
SMILES
C=Cc1cnccn1
InChIKey
KANZWHBYRHQMKZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2/c1-2-6-5-7-3-4-8-6/h2-5H,1H2

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Names and synonyms

5 names
  • Pyrazine, 2-ethenyl-
  • Pyrazine, vinyl-
  • Pyrazine, ethenyl-
  • 2-Ethenylpyrazine
  • 2-Vinylpyrazine

Work with Vinylpyrazine

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

Pyrazine-2-carbaldehyde5780-66-554 % similar 2-Vinylpyridine100-69-648 % similar 3-Vinylpyridine1121-55-741 % similar 2-Methoxypyrazine3149-28-838 % similar 4-Vinylpyridine100-43-637 % similar Methylpyrazine109-08-037 % similar Chloropyrazine14508-49-737 % similar Iodopyrazine32111-21-037 % similar

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

Same formula

3-Hexenedinitrile1119-85-3 Isopropylidenemalononitrile13166-10-4 2-Methyleneglutaronitrile1572-52-7 1-Methylpyrrole-2-carbonitrile34884-10-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook