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Molecule
Bis(Hydroxymethyl)Urea
CAS: 140-95-4 · C3H8N2O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 140-95-4
- Molecular Formula
- C3H8N2O3
- Molecular Mass
- 120.11 g/mol
Identifiers
CAS Registry Number
140-95-4
SMILES
OCN=C(O)NCO
InChI Key
QUBQYFYWUJJAAK-UHFFFAOYSA-N
InChI
InChI=1S/C3H8N2O3/c6-1-4-3(8)5-2-7/h6-7H,1-2H2,(H2,4,5,8)
Names and Synonyms
- Bis(Hydroxymethyl)Urea Common Name
- Urea, N,N′-bis(hydroxymethyl)- Synonym
- Urea, 1,3-bis(hydroxymethyl)- Synonym
- N,N′-Bis(hydroxymethyl)urea Synonym
- N,N′-(Dihydroxymethyl)urea Synonym
- Methural Synonym
- Dimethylolurea Synonym
- 1,3-Dimethylolurea Synonym
- Dimethanol urea Synonym
- N,N′-Dimethylolurea Synonym
- Protesine DMU Synonym
- 1,3-Bis(hydroxymethyl)urea Synonym
- Oxymethurea Synonym
- CSI Paste Synonym
- Ureol P Synonym
- Finish EN Synonym
- Permafresh 477 Synonym
- Metural Synonym
- DMU Synonym
- Knittex ASL Synonym
- Papirol J 001 Synonym
- NSC 41819 Synonym
- Texapret R-S Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 120.11 g/mol | CAS Common Chemistry |
| 120.10799999999998 g/mol | RDKit | |
| 120.108 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bis(hydroxymethyl)urea | CAS Common Chemistry |
| Canonical SMILES | O=C(NCO)NCO | CAS Common Chemistry |
| InChI | InChI=1S/C3H8N2O3/c6-1-4-3(8)5-2-7/h6-7H,1-2H2,(H2,4,5,8) | CAS Common Chemistry |
| InChI Key | InChIKey=QUBQYFYWUJJAAK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 126 °C | CAS Common Chemistry |
| Name | Dimethylolurea | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 85.08000000000001 Ų | RDKit |
| 85.08 Ų | RDKit | |
| LogP | -1.6104000000000003 | RDKit |
| -1.6104 | RDKit | |
| Molar Refractivity | 27.371099999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 120.053492116 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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MW = 120.11 g/mol. Edit any field — others recompute live.
