2,3,5-Trimethylpyridine 1-oxide
Properties
- Molecular formula
- C8H11NO
- Molar mass
- 137.18 g/mol
- Exact mass
- 137.0841 Da
- Melting point
- 40–41 °C
- Boiling point
- 95–98 °C
- logP
- 1.25Crippen estimate
- Polar surface area
- 26.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
74409-42-0SMILES
Cc1cc(C)c(C)[n+]([O-])c1InChIKey
YSBDSWBSEXCSSE-UHFFFAOYSA-NInChI
InChI=1S/C8H11NO/c1-6-4-7(2)8(3)9(10)5-6/h4-5H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Pyridine, 2,3,5-trimethyl-, 1-oxide
- 2,3,5-Trimethylpyridine N-oxide
- 2,3,5-Collidine N-oxide
- 2,3,5-Trimethyl-1-oxidopyridin-1-ium
Work with 2,3,5-Trimethylpyridine 1-oxide
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
2,3-Dimethylpyridine N-oxide22710-07-250 % similar
3-Methylquinoline N-oxide1873-55-844 % similar
Isodurene527-53-741 % similar
2,3,5-Trimethyl-4-nitropyridine 1-oxide86604-79-738 % similar
Iodomesitylene4028-63-134 % similar
1,2,4-Trimethylbenzene95-63-634 % similar
2,4,6-Trimethylthiophenol1541-10-233 % similar
2-Chloromesitylene1667-04-533 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.