5-Methylquinoxaline
Properties
- Molecular formula
- C9H8N2
- Molar mass
- 144.18 g/mol
- Exact mass
- 144.0687 Da
- Density
- 1.102–1.128 g/mL
- Melting point
- 20–21 °C
- Boiling point
- 120 °C
- logP
- 1.94Crippen estimate
- Polar surface area
- 25.8 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation24.2% of notifiers
- H319 Causes serious eye irritation24.2% of notifiers
- H335 May cause respiratory irritation21.5% of notifiers
Aggregated from 186 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
13708-12-8SMILES
Cc1cccc2nccnc12InChIKey
CQLOYHZZZCWHSG-UHFFFAOYSA-NInChI
InChI=1S/C9H8N2/c1-7-3-2-4-8-9(7)11-6-5-10-8/h2-6H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
1 names
- Quinoxaline, 5-methyl-
Work with 5-Methylquinoxaline
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
8-Methylquinoline611-32-557 % similar
4-Chloro-8-methylquinoline18436-73-250 % similar
Lepidine491-35-047 % similar
Quinoxaline91-19-046 % similar
2-Fluoro-3-methylpyridine2369-18-845 % similar
2-Chloro-3-methylpyridine18368-76-843 % similar
Quinoxaline-5-carboxylic acid6924-66-943 % similar
4,7-Dimethyl-1,10-phenanthroline3248-05-341 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.