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Dimethylurea
CAS: 96-31-1 | C3H8N2O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
96-31-1
Molecular Formula:
C3H8N2O
Molecular Weight:
88.11 g/mol
Names and Synonyms:
Dimethylurea
Common Name
NSC 24823
Synonym
NSC 14910
Synonym
sym-Dimethylurea
Synonym
Symmetric dimethylurea
Synonym
1,3-Dimethylurea
Synonym
N,N′-Dimethylurea
Synonym
Urea, 1,3-dimethyl-
Synonym
Urea, N,N′-dimethyl-
Synonym
Identifiers:
SMILES:
CN=C(O)NC
InChI:
InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 88.11 g/mol | Legacy Database |
| density | 1.14 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Dimethylurea None | Legacy Database |
| cas-boiling-point | 268-270 °C None | Legacy Database |
| cas-canonical-smile | O=C(NC)NC None | Legacy Database |
| cas-density | 1.142 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6) None | Legacy Database |
| cas-inchi-key | InChIKey=MGJKQDOBUOMPEZ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 108 °C None | Legacy Database |
| cas-name | N,N′-Dimethylurea None | Legacy Database |
| wikipedia-name | Dimethylurea None | Legacy Database |
| LogP | -0.25039999999999996 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 88.11 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 88.063662876 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 2 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 | 44.620000000000005 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 25.047499999999992 | RDKit |