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3,4-Dimethylaniline

CAT: 0024-sc-238660Size: 5 gDry Ice: NoHazardous: No
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CAS Number
95-64-7

Chemical Information

3,4-Dimethylaniline

3,4-dimethylaniline is a primary arylamine that is aniline in which the hydrogens at the 3- and 4-positions are replaced by methyl groups. A low-melting, crystalline solid, it is used in the production of vitamin B2, dyes, pesticides and other chemicals. It is a dimethylaniline and a primary arylamine.

CAS Number95-64-7
PubChem CID7248
IUPAC Name3,4-dimethylaniline
Molecular FormulaC8H11N
Molecular Weight121.18
XLogP2.5
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity90
SMILES
CC1=C(C=C(C=C1)N)C
InChI
InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3
InChIKey
DOLQYFPDPKPQSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dimethylaniline
CAS: 95-64-7
CID: 7248
Formula: C8H11N
MW: 121.18
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight121.18
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass121.089149355
Monoisotopic Mass121.089149355
Topological Polar Surface Area26 Ų
Heavy Atom Count9
Formal Charge0
Complexity90.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
abx184569-013,4-Dimethylaniline
OR1052144-013,4-Dimethylaniline hydrochloride
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TRC-F591200-10G4-Fluoro-3,5-dimethylaniline
OR1037558-014-Chloro-3,5-dimethylaniline
PC994812-Fluoro-3,4-dimethylaniline
OR90694-013-Chloro-2,4-dimethylaniline
ZWC43468-012-Bromo-3,4-dimethylaniline
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