Isobutyronitrile | SSHADE

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Molecule

Name: Isobutyronitrile

Name and identifiers

IUPAC name: 2-Methylpropanenitrile
Secondary names: Isopropyl cyanide, 2-Methylpropionitrile, 2-Methylpropanenitrile, 2-Cyanopropane, Isopropylnitrile, iso-C3H7CN
InChI: InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3
InChI key: LRDFRRGEGBBSRN-UHFFFAOYSA-N
CAS number: 78-82-0
Comments: natural (CH3)2CHCN

Structure and atomic composition

Formula: $(CH_3)_2CHCN$
Chemical formula: (CH3)2CHCN
Structural formula: [CH3][CH]([CH3])C#N
Charge: 0
Unpaired electrons: 0

	Atom	Name	Number
	$C$	Carbon	4
	$H$	Hydrogen	7
	$N$	Nitrogen	1

Relations

no

Isotopic composition

Isotope mixture type: terrestrial abundance

Nuclear spin isomers

Spin type: equilibrated

Molar mass: 69.107 $g/mol$
State STP: liquid
State NTP: liquid
Protic: protic
Polarity: polar
Dipole: 4.29 $D$

Fundamental vibration modes

Molecule symmetry: C2v
Case: nonlinear-polyatomic
Vibrations number: 30

Chemical functions and bonds

Chemical functions

	Function	Number
	$R-CH_3$	1
	$R_2>CH-R$	2
	$R-C \equiv N$	1

Chemical bonds

	Bond	Number
	$\geq C-H$	7
	$\geq C-C \leq$	2
	$\equiv C-C\leq$	1
	$-C\equiv N$	1