Quinoxaline

C8H6N2CAS 91-19-0130.15 g/mol

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Properties

Molecular formula
C8H6N2
Molar mass
130.15 g/mol
Exact mass
130.0531 Da
Melting point
28 °C
Boiling point
229.5 °C
logP
1.63Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
91-19-0
SMILES
c1ccc2nccnc2c1
InChIKey
XSCHRSMBECNVNS-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H

Weigh it out

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

Names and synonyms

9 names
  • 1,4-Benzodiazine
  • Benzoparadiazine
  • Benzopyrazine
  • Benzo[a]pyrazine
  • 1,4-Diazanaphthalene
  • Phenopiazine
  • Phenpiazine
  • Quinazine
  • 1,4-Naphthyridine

Work with Quinoxaline

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

Similar compounds

Pyrido[2,3-b]pyrazine322-46-358 % similar Quinoline91-22-558 % similar Quinoline hydrochloride530-64-350 % similar Phenazine92-82-050 % similar 5-Methylquinoxaline13708-12-846 % similar 4-Bromoquinoline3964-04-346 % similar Lepidine491-35-046 % similar 4-Chloroquinoline611-35-846 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phthalazine253-52-1 1,6-Naphthyridine253-72-5 Quinazoline253-82-7 1,8-Naphthyridine254-60-4 1,5-Naphthyridine254-79-5

Elsewhere

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