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2- (Dimethylamino) benzonitrile

CAT: 0926-VAA92524Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-VAA92524Size:10 g
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CAS Number
20925-24-0
MDL Number
MFCD01313389
Molecular Formula
C9H10N2
Molecular Weight
146.19 g/mol
Controlled
No

Chemical Information

2-(Dimethylamino)benzonitrile
CAS Number20925-24-0
PubChem CID307171
IUPAC Name2-(dimethylamino)benzonitrile
Molecular FormulaC9H10N2
Molecular Weight146.19
XLogP1.8
Topological Polar Surface Area27
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity166
SMILES
CN(C)C1=CC=CC=C1C#N
InChI
InChI=1S/C9H10N2/c1-11(2)9-6-4-3-5-8(9)7-10/h3-6H,1-2H3
InChIKey
OEULOFHGYOFYEC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Dimethylamino)benzonitrile
CAS: 20925-24-0
CID: 307171
Formula: C9H10N2
MW: 146.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight146.19
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass146.084398327
Monoisotopic Mass146.084398327
Topological Polar Surface Area27 Ų
Heavy Atom Count11
Formal Charge0
Complexity166
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