2,3,6-Trimethylpyridine
Properties
- Molecular formula
- C8H11N
- Molar mass
- 121.18 g/mol
- Exact mass
- 121.0891 Da
- Density
- 0.922 g/mL (at 25 °C)
- Melting point
- 143–144 °C
- Boiling point
- 171.6 °C
- logP
- 2.01Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
1462-84-6SMILES
Cc1ccc(C)c(C)n1InChIKey
UTBIMNXEDGNJFE-UHFFFAOYSA-NInChI
InChI=1S/C8H11N/c1-6-4-5-7(2)9-8(6)3/h4-5H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Pyridine, 2,3,6-trimethyl-
- 2,3,6-Collidine
- NSC 76593
Work with 2,3,6-Trimethylpyridine
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
2,6-Dimethyl-3-pyridinol1122-43-654 % similar
3-Bromo-2,6-dimethylpyridine3430-31-754 % similar
2,6-Dimethyl-3-pyridylamine3430-33-954 % similar
Neocuproine484-11-744 % similar
2,6-Dimethyl-3-nitropyridine15513-52-744 % similar
2,6-Lutidine108-48-543 % similar
2,8-Dimethylquinoline1463-17-843 % similar
2,3,5-Trimethylpyrazine14667-55-142 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.