Cyanogen

CAS: 460-19-5 · C2N2

2D Structure

Loading 3D structure...

CAS Registry Number

460-19-5

SMILES

N#CC#N

InChI Key

JMANVNJQNLATNU-UHFFFAOYSA-N

InChI

InChI=1S/C2N2/c3-1-2-4

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	52.04 g/mol	CAS Common Chemistry
	52.035999999999994 g/mol	RDKit
	52.036 g/mol	RDKit
Density	0.95 g/cm³	CAS Common Chemistry
	0.9537 g/cm3 @ -21.17 °C	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Cyanogen	CAS Common Chemistry
Boiling Point	-21.17 °C	CAS Common Chemistry
Canonical SMILES	N#CC#N	CAS Common Chemistry
InChI	InChI=1S/C2N2/c3-1-2-4	CAS Common Chemistry
InChI Key	InChIKey=JMANVNJQNLATNU-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	-27.9 °C	CAS Common Chemistry
Name	Ethanedinitrile	CAS Common Chemistry
	Cyanogen	CAS Common Chemistry
Heavy Atom Count	4	RDKit
Hydrogen Bond Acceptors	2	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	47.58 Å²	RDKit
LogP	0.03356	RDKit
	0.0336	RDKit
Molar Refractivity	11.225999999999999 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	52.006147999999996 g/mol	RDKit

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Convert

MW = 52.04 g/mol; density = 0.950 g/mL. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol) Volume (mL)