2,3,6-Trimethylpyridine

CAT: 0127-OR1083795-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1083795-01Size:250 mg

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CAS Number

1462-84-6

Purity

95%

Smiles

Cc1c (C) ccc (C) n1

Chemical Information

2,3,6-Trimethylpyridine

2,3,6-collidine is a colorless liquid with a density of 0.913 g / cm3. Slightly soluble in water. Found in low-temperature coal tar and coal soot.

CAS Number	1462-84-6
PubChem CID	15100
IUPAC Name	2,3,6-trimethylpyridine
Molecular Formula	C8H11N
Molecular Weight	121.18
XLogP	2
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	90

SMILES

CC1=C(N=C(C=C1)C)C

InChI

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

InChIKey

UTBIMNXEDGNJFE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1462-84-6

CID: 15100

Formula: C8H11N

MW: 121.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	121.18
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	121.089149355
Monoisotopic Mass	121.089149355
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	90.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1027891	3-Acetyl-2,4,6-Trimethylpyridine
OR4784-01	2,4,6-Trimethylpyridine
OR315117-01	3-Bromo-2,4,6-trimethylpyridine
PC110387	2,4,6-trimethylpyridine hexafluorophosphate
OR1025268-01	2,4,6-Trimethylpyridine-3,5-Dicarbonitrile
OR25556	2,4-dichloro-3,5,6-trimethylpyridine
OR9582-01	2,3,5-Trimethylpyridine
PC99597	Bis (2,4,6-trimethylpyridine) bromonium hexafluorophosphate
PC99598	Bis (2,4,6-trimethylpyridine) iodonium hexafluorophosphate
OR959756	N, N,3-Trimethylpyridine-2-carboxamide

Catalog	Name
sc-471973	3-Bromo-2,4,6-trimethylpyridine
FT64683	2,4,6-Trimethylpyridine
sc-275946	3-Acetyl-2,4,6-trimethylpyridine
C640041	2,4,6-Trimethylpyridine-d11
T28985-01	2,4,6-Trimethylpyridine 95%
FT02862-01	2,3,5-Trimethylpyridine
GJB21404-01	2,5,6-Trimethylpyridine-3-carboxylic acid
KHD04119-01	3- (Chloromethyl) -2,4,6-trimethylpyridine hydrochloride
419929-01	2,3,4-Trimethylpyridine
RYB06373-01	2-N,2-N,6-Trimethylpyridine-2,3-diamine