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Cyanamide

CAS: 420-04-2 | CH2N2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 420-04-2
Molecular Formula: CH2N2
Molecular Weight: 42.041 g/mol

Names and Synonyms:

Cyanamide
Cyanoamine
Carbamonitrile
Cyanogen nitride
Cyanogenamide
Amidocyanogen
Cyanamide
Dormax
CY 100
Amino cyanide
Dyhard VP 111
F 1000
Cyanamide F 1000
Deurbraak
Dormex
NSC 24133
TsAKS
Carbimide
Alzogur
N-Cyanoamine
Hydrogen cyanamide

Identifiers:

SMILES:
N#CN
InChI:
InChI=1S/CH2N2/c2-1-3/h2H2

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
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.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 42.041 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 42.021798063999995 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 3 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 2 count RDKit
Hydrogen Bond Donors 1 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 0 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 49.81 Ų RDKit

Physical Properties

Property Value Source
LogP -0.57382 RDKit
molecular_mass 42.04 g/mol Legacy Database
density 1.28 g/cm³ Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Cyanamide None Legacy Database
cas-boiling-point 83 °C @ Press: 0.5 Torr None Legacy Database
cas-canonical-smile N#CN None Legacy Database
cas-density 1.282 g/cm3 @ Temp: 20 °C None Legacy Database
cas-inchi InChI=1S/CH2N2/c2-1-3/h2H2 None Legacy Database
cas-inchi-key InChIKey=XZMCDFZZKTWFGF-UHFFFAOYSA-N None Legacy Database
cas-melting-point 45-46 °C None Legacy Database
cas-name Cyanamide None Legacy Database
wikipedia-name Cyanamide None Legacy Database

Molar

Property Value Source
Molar Refractivity 9.8004 RDKit

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