2,4 Xylidine 98% Extrapure

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CAS Number

95-68-1

Chemical Information

2,4-Dimethylaniline

2,4-dimethylaniline is a primary arylamine that is aniline in which the hydrogens at the 2- and 4-positions are replaced by methyl groups. A clear to yellow liquid, it is used in production of certain dyes, pesticides and other chemicals. It is a dimethylaniline and a primary arylamine.

CAS Number	95-68-1
PubChem CID	7250
IUPAC Name	2,4-dimethylaniline
Molecular Formula	C8H11N
Molecular Weight	121.18
XLogP	1.7
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	90

SMILES

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

InChI

InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3

InChIKey

CZZZABOKJQXEBO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 95-68-1

CID: 7250

Formula: C8H11N

MW: 121.18

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	121.18
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	121.089149355
Monoisotopic Mass	121.089149355
Topological Polar Surface Area	26 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

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2,4 Xylidine 98% Extrapure

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