3,4,5-Trimethylpyridine
Properties
- Molecular formula
- C8H11N
- Molar mass
- 121.18 g/mol
- Exact mass
- 121.0891 Da
- Density
- 0.9616 g/mL (at 15 °C)
- Melting point
- 32.6–35.6 °C
- Boiling point
- 205–207 °C
- logP
- 2.01Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- 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 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
20579-43-5SMILES
Cc1cncc(C)c1CInChIKey
VCMUWBCBVPWJPS-UHFFFAOYSA-NInChI
InChI=1S/C8H11N/c1-6-4-9-5-7(2)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
2 names
- Pyridine, 3,4,5-trimethyl-
- 3,4,5-Collidine
Work with 3,4,5-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
3,5-Dibromo-4-methylpyridine3430-23-745 % similar
3,4-Dimethylpyridine583-58-445 % similar
1,2,3-Trimethylbenzene526-73-845 % similar
3,4,7,8-Tetramethyl-1,10-phenanthroline1660-93-144 % similar
Isodurene527-53-743 % similar
Prehnitene488-23-342 % similar
Pentamethylbenzene700-12-940 % similar
4-Bromo-3-methylpyridine10168-00-038 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.