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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 Mass:
103.08 g/mol
Names and Synonyms:
Biuret
Imidodicarbonic diamide
Biuret
Allophanamide
Allophanic acid amide
Carbamylurea
Dicarbamylamine
Ureidoformamide
Urea, (aminocarbonyl)-
Allophanimidic acid
Isobiuret
HO 1
HO 1 (biuret)
NSC 8020
Desmodeyn 75
N 75
1-(Carbamoylamino)formamide
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)
Key Properties
Melting Point
190 °C (decomp)
CAS Common Chemistry
Density
1.47 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 103.08 g/mol | CAS Common Chemistry |
| 103.08099999999999 g/mol | RDKit | |
| 103.0381764 g/mol | RDKit | |
| Density | 1.47 g/cm³ | CAS Common Chemistry |
| 1.467 g/cm3 @ Temp: -5 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Biuret | CAS Common Chemistry |
| Canonical SMILES | O=C(N)NC(=O)N | CAS Common Chemistry |
| InChI | InChI=1S/C2H5N3O2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7) | CAS Common Chemistry |
| InChI Key | InChIKey=OHJMTUPIZMNBFR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 190 °C (decomp) | CAS Common Chemistry |
| Name | Biuret | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 100.19000000000001 Ų | RDKit |
| LogP | -0.4384600000000001 | RDKit |
| Molar Refractivity | 23.846700000000002 | RDKit |
