3,4-Dimethylpyridine
Properties
- Molecular formula
- C7H9N
- Molar mass
- 107.16 g/mol
- Exact mass
- 107.0735 Da
- Density
- 0.9537 g/mL (at 26 °C)
- Melting point
- −11 °C
- Boiling point
- 179.1 °C
- logP
- 1.70Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H226 Flammable liquid and vapor97.9% of notifiers
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled80.9% of notifiers
- H302 Harmful if swallowed97.9% of notifiers
- H310 Fatal in contact with skin10.6% of notifiers
- H311 Toxic in contact with skin89.4% of notifiers
- H315 Causes skin irritation95.7% of notifiers
- H319 Causes serious eye irritation95.7% of notifiers
- H331 Toxic if inhaled93.6% of notifiers
- H335 May cause respiratory irritation93.6% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
583-58-4SMILES
Cc1ccncc1CInChIKey
NURQLCJSMXZBPC-UHFFFAOYSA-NInChI
InChI=1S/C7H9N/c1-6-3-4-8-5-7(6)2/h3-5H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Pyridine, 3,4-dimethyl-
- 3,4-Lutidine
- NSC 4675
Work with 3,4-Dimethylpyridine
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
4-Bromo-3-methylpyridine10168-00-058 % similar
3-Hydroxy-4-methylpyridine1121-19-358 % similar
4-Chloro-3-methylpyridine1681-36-358 % similar
3-Bromo-4-methylpyridine3430-22-658 % similar
3-Amino-4-methylpyridine3430-27-158 % similar
3-Fluoro-4-methylpyridine399-88-258 % similar
3-Chloro-4-methylpyridine72093-04-058 % similar
3-Ethyl-4-methylpyridine529-21-554 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.