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Molecule
Biurea
CAS: 110-21-4 · C2H6N4O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 110-21-4
- Molecular Formula
- C2H6N4O2
- Molecular Mass
- 118.10 g/mol
Identifiers
CAS Registry Number
110-21-4
SMILES
N=C(O)NNC(=N)O
InChI Key
ULUZGMIUTMRARO-UHFFFAOYSA-N
InChI
InChI=1S/C2H6N4O2/c3-1(7)5-6-2(4)8/h(H3,3,5,7)(H3,4,6,8)
Names and Synonyms
- Biurea Synonym
- 1,2-Hydrazinedicarboxamide Synonym
- Biurea Synonym
- 1,1′-Hydrazobis(formamide) Synonym
- Bicarbamamide Synonym
- Hydrazodicarboxamide Synonym
- Hydrazodicarbonamide Synonym
- Hydrazine, 1,2-bis(aminocarbonyl)- Synonym
- Bicarbamimidic acid Synonym
- Ureidourea Synonym
- Hydrazocarbonamide Synonym
- Hydrazinedicarboxylic acid diamide Synonym
- Hydrazine-N,N′-bis(carboxamide) Synonym
- Hydradicarbonamide Synonym
- N,N′-Biscarbamoylhydrazine Synonym
- Hydrazodicarbamide Synonym
- Cellmic 142 Synonym
- HDCA Synonym
- S 3176 Synonym
- KBH 30 Synonym
- LDA Synonym
- LDA (fire retardant) Synonym
- NSC 1897 Synonym
- Diurea Synonym
- FE 823 Synonym
- (Carbamoylamino)urea Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 118.10 g/mol | CAS Common Chemistry |
| 118.09599999999999 g/mol | RDKit | |
| 118.096 g/mol | RDKit | |
| Density | 1.60 g/cm³ | CAS Common Chemistry |
| 1.604 g/cm3 @ -5 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Biurea | CAS Common Chemistry |
| Canonical SMILES | O=C(N)NNC(=O)N | CAS Common Chemistry |
| InChI | InChI=1S/C2H6N4O2/c3-1(7)5-6-2(4)8/h(H3,3,5,7)(H3,4,6,8) | CAS Common Chemistry |
| InChI Key | InChIKey=ULUZGMIUTMRARO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 258 °C | CAS Common Chemistry |
| Name | Diurea | CAS Common Chemistry |
| Biurea | CAS Common Chemistry | |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 112.22000000000001 Ų | RDKit |
| 112.22 Ų | RDKit | |
| LogP | -0.9338600000000001 | RDKit |
| -0.9339 | RDKit | |
| Molar Refractivity | 26.982400000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 118.049075432 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 118.10 g/mol; density = 1.600 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H6N4O2.
