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Molecule
Hydrogen Cyanide
CAS: 74-90-8 · CHN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 74-90-8
- Molecular Formula
- CHN
- Molecular Mass
- 27.03 g/mol
Identifiers
CAS Registry Number
74-90-8
SMILES
C#N
InChI Key
LELOWRISYMNNSU-UHFFFAOYSA-N
InChI
InChI=1S/CHN/c1-2/h1H
Names and Synonyms
- Hydrogen Cyanide Synonym
- Hydrocyanic acid Synonym
- Formic anammonide Synonym
- Formonitrile Synonym
- Hydrogen cyanide Synonym
- Prussic acid Synonym
- Carbon hydride nitride (CHN) Synonym
- Evercyn Synonym
- Zyklon B Synonym
- Agent AC Synonym
- AC Synonym
- AC (chemical warfare agent) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 27.03 g/mol | CAS Common Chemistry |
| 27.025999999999996 g/mol | RDKit | |
| 27.026 g/mol | RDKit | |
| Density | 0.69 g/cm³ | CAS Common Chemistry |
| 0.687 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Hydrogen_cyanide | CAS Common Chemistry |
| Boiling Point | 25.6 °C | CAS Common Chemistry |
| Canonical SMILES | N#C | CAS Common Chemistry |
| InChI | InChI=1S/CHN/c1-2/h1H | CAS Common Chemistry |
| InChI Key | InChIKey=LELOWRISYMNNSU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -13.4 °C | CAS Common Chemistry |
| Name | Hydrogen cyanide | CAS Common Chemistry |
| Heavy Atom Count | 2 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.79 Ų | RDKit |
| LogP | 0.13978 | RDKit |
| 0.1398 | RDKit | |
| Molar Refractivity | 6.67 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 27.010899031999998 g/mol | RDKit |
Spectral Data
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.
External Resources
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Quick conversion
MW = 27.03 g/mol; density = 0.690 g/mL. Edit any field — others recompute live.
