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N,3-Dimethylaniline

CAT: 0572-TRC-D462180-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D462180-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
696-44-6
Synonyms
Tolnaftate Imp. D (EP); N,3-Dimethylaniline; N-Methyl-m-toluidine; Tolnaftate Impurity D
Hazard Statement
Combustible liquid and vapour; UN number: UN2810; Packing Group: III
Purity
>95% (HPLC)
Smiles
CNc1cccc(C)c1
Molecular Formula
C8 H11 N
Molecular Weight
121.18
InChI
InChI=1S/C8H11N/c1-7-4-3-5-8(6-7)9-2/h3-6,9H,1-2H3
Additionnal Information
IUPAC name: N,3-dimethylaniline
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Benzenamine, N,3-dimethyl-
CAS Number696-44-6
PubChem CID69675
IUPAC NameN,3-dimethylaniline
Molecular FormulaC8H11N
Molecular Weight121.18
XLogP2.6
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity80
SMILES
CC1=CC(=CC=C1)NC
InChI
InChI=1S/C8H11N/c1-7-4-3-5-8(6-7)9-2/h3-6,9H,1-2H3
InChIKey
FBGJJTQNZVNEQU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzenamine, N,3-dimethyl-
CAS: 696-44-6
CID: 69675
Formula: C8H11N
MW: 121.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight121.18
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass121.089149355
Monoisotopic Mass121.089149355
Topological Polar Surface Area12 Ų
Heavy Atom Count9
Formal Charge0
Complexity80.6
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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