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Molecule
Methylol Urea
CAS: 1000-82-4 · C2H6N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1000-82-4
- Molecular Formula
- C2H6N2O2
- Molecular Mass
- 90.08 g/mol
Identifiers
CAS Registry Number
1000-82-4
SMILES
N=C(O)NCO
InChI Key
VGGLHLAESQEWCR-UHFFFAOYSA-N
InChI
InChI=1S/C2H6N2O2/c3-2(6)4-1-5/h5H,1H2,(H3,3,4,6)
Names and Synonyms
- Methylol Urea Common Name
- Urea, N-(hydroxymethyl)- Synonym
- Urea, (hydroxymethyl)- Synonym
- N-(Hydroxymethyl)urea Synonym
- Methylolurea Synonym
- N-Methylolurea Synonym
- (Hydroxymethyl)urea Synonym
- 1-(Hydroxymethyl)urea Synonym
- Mono(hydroxymethyl)urea Synonym
- Monomethylolurea Synonym
- NSC 13181 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 90.08 g/mol | CAS Common Chemistry |
| 90.082 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methylol_urea | CAS Common Chemistry |
| Boiling Point | 110 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(N)NCO | CAS Common Chemistry |
| InChI | InChI=1S/C2H6N2O2/c3-2(6)4-1-5/h5H,1H2,(H3,3,4,6) | CAS Common Chemistry |
| InChI Key | InChIKey=VGGLHLAESQEWCR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 111 °C | CAS Common Chemistry |
| Name | (Hydroxymethyl)urea | CAS Common Chemistry |
| Methylol urea | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 76.34 Ų | RDKit |
| LogP | -0.98143 | RDKit |
| -0.9814 | RDKit | |
| Molar Refractivity | 20.576999999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 90.042927432 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 = 90.08 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H6N2O2.
