Back to Search
Biuret
CAS: 108-19-0 | C2H5N3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
108-19-0
Molecular Formula:
C2H5N3O2
Molecular Weight:
103.08099999999999 g/mol
Names and Synonyms:
Biuret
1-(Carbamoylamino)formamide
N 75
Desmodeyn 75
NSC 8020
HO 1 (biuret)
HO 1
Isobiuret
Allophanimidic acid
Urea, (aminocarbonyl)-
Ureidoformamide
Dicarbamylamine
Carbamylurea
Allophanic acid amide
Allophanamide
Biuret
Imidodicarbonic diamide
Identifiers:
SMILES:
N=C(O)NC(=N)O
InChI:
InChI=1S/C2H5N3O2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)
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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 103.08 g/mol | Legacy Database |
| density | 1.47 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Biuret None | Legacy Database |
| cas-canonical-smile | O=C(N)NC(=O)N None | Legacy Database |
| cas-density | 1.467 g/cm3 @ Temp: -5 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H5N3O2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7) None | Legacy Database |
| cas-inchi-key | InChIKey=OHJMTUPIZMNBFR-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 190 °C (decomp) None | Legacy Database |
| cas-name | Biuret None | Legacy Database |
| wikipedia-name | Biuret None | Legacy Database |
| LogP | -0.4384600000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 103.08099999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 103.0381764 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 5 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 | 100.19000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 23.846700000000002 | RDKit |
