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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
Urea
Carbamide
UR
Isourea
Carbamimidic acid
Carbonyl diamide
Urevert
Ureaphil
Ureophil
Pseudourea
B-I-K
Varioform II
Benural 70
Urepearl
Urea perhydrate
Urepeal
Keratinamin Kowa
Pastaron
Pastaron 20
Pastaron 20 soft
Urepeal L
Pastaron 10
Eucerin 10% Urea Lotion
Optigen 1200
Aquacare
Basodexan
Keratinamin
Aquadrate
Hyanit
Elaqua XX
Onychomal
Nutraplus
NSC 34375
Pastaron soft
Rubinol ST 010
Carmol 40
SGN 250
Uroderm
Ultra Low Biuret Urea
Low Biuret Urea
Duration III
ESN
Optigen II
Uria
Cellton NP
Cellpaste K 4
AUS 32
Onyster
Diesel exhaust fluid
DEF
DEF (diesel exhaust fluid)
AdBlue
U 6504
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 |
