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Isobutyronitrile

CAT: 0024-sc-250182Size: 25 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-250182Size:25 mL
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CAS Number
78-82-0

Chemical Information

Isobutyronitrile

Isobutyronitrile is an aliphatic nitrile that is acetonitrile in which two of the hydrogens have been replaced by methyl groups. It has a role as a polar aprotic solvent. It is a volatile organic compound and an aliphatic nitrile.

CAS Number78-82-0
PubChem CID6559
IUPAC Name2-methylpropanenitrile
Molecular FormulaC4H7N
Molecular Weight69.11
XLogP0.5
Topological Polar Surface Area23.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count5
Formal Charge0
Complexity55
SMILES
CC(C)C#N
InChI
InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3
InChIKey
LRDFRRGEGBBSRN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isobutyronitrile
CAS: 78-82-0
CID: 6559
Formula: C4H7N
MW: 69.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight69.11
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass69.057849228
Monoisotopic Mass69.057849228
Topological Polar Surface Area23.8 Ų
Heavy Atom Count5
Formal Charge0
Complexity55.3
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

Alternative Products

CatalogName
280342-01Isobutyronitrile
I06590Isobutyronitrile 98%
109345 500Isobutyronitrile (2-Methylpropionitrile; Isopropyl Cyanide)
MBS6046772-012,3,4,6-Tetra-O-acetyl Linamarin (2- (2,3,4,6-Tetra-O-acetyl-b-D-glucopyranosyloxy) isobutyronitrile)

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