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Molecule
Urea
CAS: 57-13-6 · CH4N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 57-13-6
- Molecular Formula
- CH4N2O
- Molecular Mass
- 60.06 g/mol
Identifiers
CAS Registry Number
57-13-6
SMILES
N=C(N)O
InChI Key
XSQUKJJJFZCRTK-UHFFFAOYSA-N
InChI
InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 60.06 g/mol | CAS Common Chemistry |
| 60.056000000000004 g/mol | RDKit | |
| 60.056 g/mol | RDKit | |
| Density | 1.32 g/cm³ | CAS Common Chemistry |
| 1.3230 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Urea | CAS Common Chemistry |
| Boiling Point | 317-389 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(N)N | CAS Common Chemistry |
| InChI | InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=XSQUKJJJFZCRTK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 132.70 °C | CAS Common Chemistry |
| Name | Urea | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 70.10000000000001 Ų | RDKit |
| 70.1 Ų | RDKit | |
| LogP | -0.5621299999999998 | RDKit |
| -0.5621 | RDKit | |
| Molar Refractivity | 14.5429 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 60.032362748 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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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Quick conversion
MW = 60.06 g/mol; density = 1.320 g/mL. Edit any field — others recompute live.
