2-Methyl-3-propylpyrazine
Properties
- Molecular formula
- C8H12N2
- Molar mass
- 136.20 g/mol
- Exact mass
- 136.1000 Da
- Boiling point
- 189 °C
- logP
- 1.74Crippen estimate
- Polar surface area
- 25.8 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation32.4% of notifiers
- H319 Causes serious eye irritation32.4% of notifiers
- H335 May cause respiratory irritation31.6% of notifiers
Aggregated from 136 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
15986-80-8SMILES
CCCc1nccnc1CInChIKey
XAWKNALRUSOTOY-UHFFFAOYSA-NInChI
InChI=1S/C8H12N2/c1-3-4-8-7(2)9-5-6-10-8/h5-6H,3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Pyrazine, 2-methyl-3-propyl-
- 3-Propyl-2-methylpyrazine
- 2-Propyl-3-methylpyrazine
Work with 2-Methyl-3-propylpyrazine
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
2-Ethyl-3-methylpyrazine15707-23-062 % similar
2-Isobutyl-3-methylpyrazine13925-06-950 % similar
2,3-Dimethylpyrazine5910-89-448 % similar
Propylpyrazine18138-03-942 % similar
2-Ethoxy-3-methylpyrazine32737-14-742 % similar
5,6,7,8-Tetrahydroquinoxaline34413-35-938 % similar
4-Propylpyridine1122-81-238 % similar
3-Methyl-2-pyrazinamine19838-08-538 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds