2,4,6-Trimethylpyridine

C₈H₁₁NCAS 108-75-8121.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₁N
Molar mass: 121.18 g/mol
Exact mass: 121.0891 Da
Density: 0.913 g/mL (at 20 °C)
Melting point: −44.5 °C
Boiling point: 170.4 °C
pKa: 7.43 (conjugate acid)
Flash point: 57.8 °C
logP: 2.01Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H226 Flammable liquid and vapor99.5% of notifiers
H302 Harmful if swallowed98.9% of notifiers
H311 Toxic in contact with skin39.6% of notifiers
H312 Harmful in contact with skin44.9% of notifiers
H315 Causes skin irritation98.9% of notifiers
H319 Causes serious eye irritation98.9% of notifiers
H332 Harmful if inhaled75.4% of notifiers
H335 May cause respiratory irritation84% of notifiers

Aggregated from 187 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+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

108-75-8

SMILES

Cc1cc(C)nc(C)c1

InChIKey

BWZVCCNYKMEVEX-UHFFFAOYSA-N

InChI

InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

7 names

Pyridine, 2,4,6-trimethyl-
s-Collidine
Sym-Collidine
α,γ,α′-Collidine
γ-Collidine
2,4,6-Collidine
NSC 460

Reactions

PREPARATION OF BIS(2,4,6-TRIMETHYLPYRIDINE)IODINE(I) HEXAFLUOROPHOSPHATE AND BIS(2,4,6-TRIMETHYLPYRIDINE) BROMINE(I) HEXAFLUOROPHOSPHATE (Iodine(1+), bis(2,4,6-trimethylpyridine)-, hexafluorophosphate(1−), and Bromine(1+), bis(2,4,6-trimethylpyridine)-, hexafluorophosphate(1−))product

Work with 2,4,6-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Collidinium P-toluenesulfonate59229-09-3Salt

Similar compounds

2-Chloro-4,6-dimethylpyridine30838-93-864 % similar 2-Bromo-4,6-dimethylpyridine4926-26-564 % similar 2-Amino-4,6-dimethylpyridine5407-87-464 % similar 4-Chloro-2,6-dimethylpyridine3512-75-252 % similar Mesitylene108-67-850 % similar 2,7-Dimethylquinoline93-37-848 % similar 2,4-Lutidine108-47-448 % similar 2-Chloro-4,6-dimethylpyrimidine4472-44-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Methylbenzylamine100-81-2 N-Methylbenzylamine103-67-3 N-Ethylaniline103-69-5 4-Methylbenzylamine104-84-7 5-Ethyl-2-methylpyridine104-90-5 3,5-Xylidine108-69-0 4-Propylpyridine1122-81-2 Dimethylaniline121-69-7

Elsewhere

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