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Diazomethane
CAS: 334-88-3 | CH2N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
334-88-3
Molecular Formula:
CH2N2
Molecular Weight:
42.041 g/mol
Names and Synonyms:
Diazomethane
Common Name
Diazirine
Synonym
Diazomethane
Synonym
Azimethylene
Synonym
Methane, diazo-
Synonym
Diazyne, methylene-
Synonym
Diazonium methylide
Synonym
Identifiers:
SMILES:
C=[N+]=[N-]
InChI:
InChI=1S/CH2N2/c1-3-2/h1H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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 | 42.041 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 42.021798064 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 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 | 36.400000000000006 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.0832 | RDKit |
| molecular_mass | 42.04 g/mol | Legacy Database |
| density | 1.45 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Diazomethane None | Legacy Database |
| cas-boiling-point | -23 °C None | Legacy Database |
| cas-canonical-smile | [N-]=[N+]=C None | Legacy Database |
| cas-density | 1.45 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/CH2N2/c1-3-2/h1H2 None | Legacy Database |
| cas-inchi-key | InChIKey=YXHKONLOYHBTNS-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -145 °C None | Legacy Database |
| cas-name | Diazomethane None | Legacy Database |
| wikipedia-name | Diazomethane None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 10.740400000000001 | RDKit |