chempirical

2,3,5-Trimethylpyridine 1-oxide

C8H11NOCAS 74409-42-0137.18 g/mol

Open in Covalent MOL file
N+O−

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

Identifiers

CAS number
74409-42-0
SMILES
Cc1cc(C)c(C)[n+]([O-])c1
InChIKey
YSBDSWBSEXCSSE-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO/c1-6-4-7(2)8(3)9(10)5-6/h4-5H,1-3H3

Weigh 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 2,3,5-Trimethyl-4-nitropyridine 1-oxide86604-79-738 % similar Iodomesitylene4028-63-134 % similar 1,2,4-Trimethylbenzene95-63-634 % similar Mesitol527-60-633 % similar Sodium 2,4,6-trimethylbenzenesulfonate6148-75-033 % similar 2,4,6-Trimethylaniline88-05-133 % similar N,N,2,4,6-Pentamethylbenzenamine13021-15-331 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Methoxy-2-methylaniline102-50-1 2-(4-Aminophenyl)ethanol104-10-9 2-Methoxy-N-methyaniline10541-78-3 Para-cresidine120-71-8 N-(2-Hydroxyethyl)aniline122-98-5 4-Amino-α-methylbenzenemethanol14572-89-5 P-Phenetidine156-43-4 3-Methoxy-4-methylaniline16452-01-0

Elsewhere

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