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Molecule
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
Identifiers
CAS Registry Number
108-19-0
SMILES
N=C(O)NC(=N)O
InChI Key
OHJMTUPIZMNBFR-UHFFFAOYSA-N
InChI
InChI=1S/C2H5N3O2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)
Names and Synonyms
- Biuret Common Name
- Imidodicarbonic diamide Synonym
- Biuret Synonym
- Allophanamide Synonym
- Allophanic acid amide Synonym
- Carbamylurea Synonym
- Dicarbamylamine Synonym
- Ureidoformamide Synonym
- Urea, (aminocarbonyl)- Synonym
- Allophanimidic acid Synonym
- Isobiuret Synonym
- HO 1 Synonym
- HO 1 (biuret) Synonym
- NSC 8020 Synonym
- Desmodeyn 75 Synonym
- N 75 Synonym
- 1-(Carbamoylamino)formamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 103.08 g/mol | CAS Common Chemistry |
| 103.08099999999999 g/mol | RDKit | |
| 103.081 g/mol | RDKit | |
| Density | 1.47 g/cm³ | CAS Common Chemistry |
| 1.467 g/cm3 @ -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 |
| 100.19 Ų | RDKit | |
| LogP | -0.4384600000000001 | RDKit |
| -0.4385 | RDKit | |
| Molar Refractivity | 23.846700000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 103.0381764 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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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MW = 103.08 g/mol; density = 1.470 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H5N3O2.
