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N, N-Dimethylaniline

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CAS Number
121-69-7
Molecular Formula
C6H5N (CH3) 2
Molecular Weight
121.18
Formulation
C6H5N (CH3) 2

Chemical Information

N,N-Dimethylaniline

N,N-dimethylaniline is a tertiary amine that is aniline in which the amino hydrogens are replaced by two methyl groups. It is a dimethylaniline and a tertiary amine.

CAS Number121-69-7
PubChem CID949
IUPAC NameN,N-dimethylaniline
Molecular FormulaC8H11N
Molecular Weight121.18
XLogP2.3
Topological Polar Surface Area3.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity72
SMILES
CN(C)C1=CC=CC=C1
InChI
InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey
JLTDJTHDQAWBAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N-Dimethylaniline
CAS: 121-69-7
CID: 949
Formula: C8H11N
MW: 121.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight121.18
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass121.089149355
Monoisotopic Mass121.089149355
Topological Polar Surface Area3.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity72.6
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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