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Hydrogen Cyanide
CAS: 74-90-8 | CHN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
74-90-8
Molecular Formula:
CHN
Molecular Weight:
27.025999999999996 g/mol
Names and Synonyms:
Hydrogen Cyanide
Hydrocyanic acid
Formic anammonide
Formonitrile
Hydrogen cyanide
Prussic acid
Carbon hydride nitride (CHN)
Evercyn
Zyklon B
Agent AC
AC
AC (chemical warfare agent)
Identifiers:
SMILES:
C#N
InChI:
InChI=1S/CHN/c1-2/h1H
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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8
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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 |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 27.025999999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 27.010899031999998 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 2 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 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 | 23.79 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.13978 | RDKit |
| molecular_mass | 27.03 g/mol | Legacy Database |
| density | 0.69 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Hydrogen_cyanide None | Legacy Database |
| cas-boiling-point | 25.6 °C None | Legacy Database |
| cas-canonical-smile | N#C None | Legacy Database |
| cas-density | 0.687 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/CHN/c1-2/h1H None | Legacy Database |
| cas-inchi-key | InChIKey=LELOWRISYMNNSU-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -13.4 °C None | Legacy Database |
| cas-name | Hydrogen cyanide None | Legacy Database |
| wikipedia-name | Hydrogen cyanide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 6.67 | RDKit |
