5,6,7,8-Tetrahydroquinoxaline
Properties
- Molecular formula
- C8H10N2
- Molar mass
- 134.18 g/mol
- Exact mass
- 134.0844 Da
- Density
- 1.078–1.088 g/mL
- Melting point
- 29–30 °C
- Boiling point
- 108–111 °C
- logP
- 1.36Crippen estimate
- Polar surface area
- 25.8 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation41.5% of notifiers
- H319 Causes serious eye irritation41.5% of notifiers
- H335 May cause respiratory irritation38.1% of notifiers
Aggregated from 147 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
34413-35-9SMILES
c1cnc2c(n1)CCCC2InChIKey
XCZPDOCRSYZOBI-UHFFFAOYSA-NInChI
InChI=1S/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h5-6H,1-4H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Quinoxaline, 5,6,7,8-tetrahydro-
- Lucel
- Tetrahydro terrazine 014
Work with 5,6,7,8-Tetrahydroquinoxaline
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
5,6,7,8-Tetrahydroquinoline10500-57-952 % similar
6,7-Dihydro-5H-cyclopenta[b]pyridine533-37-946 % similar
2,3-Diethylpyrazine15707-24-145 % similar
1,2,3,4,5,6,7,8-Octahydroacridine1658-08-841 % similar
2-Methyl-3-propylpyrazine15986-80-838 % similar
2-Ethyl-3-methylpyrazine15707-23-036 % similar
5,6,7,8-Tetrahydroquinolinone-553400-41-235 % similar
(3-Chloropyrazin-2-yl)methanol89283-32-935 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.