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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
Names and Synonyms:
Biurea
1,2-Hydrazinedicarboxamide
Biurea
1,1′-Hydrazobis(formamide)
Bicarbamamide
Hydrazodicarboxamide
Hydrazodicarbonamide
Hydrazine, 1,2-bis(aminocarbonyl)-
Bicarbamimidic acid
Ureidourea
Hydrazocarbonamide
Hydrazinedicarboxylic acid diamide
Hydrazine-N,N′-bis(carboxamide)
Hydradicarbonamide
N,N′-Biscarbamoylhydrazine
Hydrazodicarbamide
Cellmic 142
HDCA
S 3176
KBH 30
LDA
LDA (fire retardant)
NSC 1897
Diurea
FE 823
(Carbamoylamino)urea
Identifiers:
SMILES:
N=C(O)NNC(=N)O
InChI:
InChI=1S/C2H6N4O2/c3-1(7)5-6-2(4)8/h(H3,3,5,7)(H3,4,6,8)
Key Properties
Melting Point
258 °C
CAS Common Chemistry
Density
1.60 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 | 118.10 g/mol | CAS Common Chemistry |
| 118.09599999999999 g/mol | RDKit | |
| 118.049075432 g/mol | RDKit | |
| Density | 1.60 g/cm³ | CAS Common Chemistry |
| 1.604 g/cm3 @ Temp: -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 |
| LogP | -0.9338600000000001 | RDKit |
| Molar Refractivity | 26.982400000000005 | RDKit |
