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Urea
CAS: 57-13-6 | CH4N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
57-13-6
Molecular Formula:
CH4N2O
Molecular Weight:
60.056000000000004 g/mol
Names and Synonyms:
Urea
Synonym
Urea
Synonym
Carbamide
Synonym
UR
Synonym
Isourea
Synonym
Carbamimidic acid
Synonym
Carbonyl diamide
Synonym
Urevert
Synonym
Ureaphil
Synonym
Ureophil
Synonym
Pseudourea
Synonym
B-I-K
Synonym
Varioform II
Synonym
Benural 70
Synonym
Urepearl
Synonym
Urea perhydrate
Synonym
Urepeal
Synonym
Keratinamin Kowa
Synonym
Pastaron
Synonym
Pastaron 20
Synonym
Pastaron 20 soft
Synonym
Urepeal L
Synonym
Pastaron 10
Synonym
Eucerin 10% Urea Lotion
Synonym
Optigen 1200
Synonym
Aquacare
Synonym
Basodexan
Synonym
Keratinamin
Synonym
Aquadrate
Synonym
Hyanit
Synonym
Elaqua XX
Synonym
Onychomal
Synonym
Nutraplus
Synonym
NSC 34375
Synonym
Pastaron soft
Synonym
Rubinol ST 010
Synonym
Carmol 40
Synonym
SGN 250
Synonym
Uroderm
Synonym
Ultra Low Biuret Urea
Synonym
Low Biuret Urea
Synonym
Duration III
Synonym
ESN
Synonym
Optigen II
Synonym
Uria
Synonym
Cellton NP
Synonym
Cellpaste K 4
Synonym
AUS 32
Synonym
Onyster
Synonym
Diesel exhaust fluid
Synonym
DEF
Synonym
DEF (diesel exhaust fluid)
Synonym
AdBlue
Synonym
U 6504
Synonym
Identifiers:
SMILES:
N=C(N)O
InChI:
InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
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 | 60.06 g/mol | Legacy Database |
| density | 1.32 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Urea None | Legacy Database |
| cas-boiling-point | 317-389 °C None | Legacy Database |
| cas-canonical-smile | O=C(N)N None | Legacy Database |
| cas-density | 1.3230 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4) None | Legacy Database |
| cas-inchi-key | InChIKey=XSQUKJJJFZCRTK-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 132.70 °C None | Legacy Database |
| cas-name | Urea None | Legacy Database |
| wikipedia-name | Urea None | Legacy Database |
| LogP | -0.5621299999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 60.056000000000004 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 60.032362748 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 3 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 | 70.10000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 14.5429 | RDKit |