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Molecule
Diazolidinyl Urea
CAS: 78491-02-8 · C8H14N4O7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 78491-02-8
- Molecular Formula
- C8H14N4O7
- Molecular Mass
- 278.22 g/mol
Identifiers
CAS Registry Number
78491-02-8
SMILES
O=C1C(N(CO)C(O)=NCO)N(CO)C(=O)N1CO
InChI Key
SOROIESOUPGGFO-UHFFFAOYSA-N
InChI
InChI=1S/C8H14N4O7/c13-1-9-7(18)10(2-14)5-6(17)12(4-16)8(19)11(5)3-15/h5,13-16H,1-4H2,(H,9,18)
Names and Synonyms
- Diazolidinyl Urea Common Name
- Urea, N-[1,3-bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-N,N′-bis(hydroxymethyl)- Synonym
- N-[1,3-Bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-N,N′-bis(hydroxymethyl)urea Synonym
- Germall II Synonym
- Diazolidinyl urea Synonym
- Germaben II-E Synonym
- N-Hydroxymethyl-N-[1,3-di(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-N′-hydroxymethylurea Synonym
- 1-[1,3-Bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea Synonym
- Diazolidinylurea Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 278.22 g/mol | CAS Common Chemistry |
| 278.221 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diazolidinyl_urea | CAS Common Chemistry |
| Name | Diazolidinyl urea | CAS Common Chemistry |
| Canonical SMILES | O=C(NCO)N(CO)C1C(=O)N(C(=O)N1CO)CO | CAS Common Chemistry |
| InChI | InChI=1S/C8H14N4O7/c13-1-9-7(18)10(2-14)5-6(17)12(4-16)8(19)11(5)3-15/h5,13-16H,1-4H2,(H,9,18) | CAS Common Chemistry |
| InChI Key | InChIKey=SOROIESOUPGGFO-UHFFFAOYSA-N | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 157.37 Ų | RDKit |
| 156.68 Ų | chempirical lib | |
| LogP | -3.408099999999999 | RDKit |
| -3.4081 | RDKit | |
| Molar Refractivity | 58.11500000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.625 | RDKit |
| 0.62 | chempirical lib | |
| Exact Mass | 278.086248788 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 278.22 g/mol. Edit any field — others recompute live.
