Butyronitrile | SSHADE

Molecule

Name: Butyronitrile

Name and identifiers

IUPAC name: Butanenitrile
Secondary names: 1-Cyanopropane, Propyl cyanide, n-Butyronitrile, Butyrylonitrile, Butyric acid nitrile, CH3CH2CH2CN, C3H7CN
InChI: InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3
InChI key: KVNRLNFWIYMESJ-UHFFFAOYSA-N
CAS number: 109-74-0
Comments: natural CH3CH2CH2CN

Structure and atomic composition

Formula: $CH_3CH_2CH_2CN$
Chemical formula: CH3(CH2)2CN
Structural formula: [CH3][CH2][CH2]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: 3.5 $D$

Fundamental vibration modes

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

Chemical functions and bonds

Chemical functions

	Function	Number
	$R-CH_3$	1
	$R-CH_2-R$	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