Back to Search
Tetramethylolacetylenediurea
CAS: 5395-50-6 | C8H14N4O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5395-50-6
Molecular Formula:
C8H14N4O6
Molecular Mass:
262.22 g/mol
Names and Synonyms:
Tetramethylolacetylenediurea
Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-1,3,4,6-tetrakis(hydroxymethyl)-
Glycoluril, 1,3,4,6-tetrakis(hydroxymethyl)-
Tetrahydro-1,3,4,6-tetrakis(hydroxymethyl)imidazo[4,5-d]imidazole-2,5(1H,3H)-dione
2,5-Dioxo-1,3,4,6-tetrakis(hydroxymethyl)hexahydroimidazo[4,5-d]imidazole
Fixapret 140
Tetramethylolacetylenediurea
Tetramethylolglycoluril
N,N′,N′′,N′′′-Tetrakis(hydroxymethyl)glycoluril
Tetrakis(hydroxymethyl)glycoluril
Tetrakis(hydroxymethyl)acetyleneurea
Cymel 1172
NSC 3319
NSC 67452
Tetrakis(hydroxymethyl)acetylenediurea
Protectol TD
2,4,6,8-Tetrakis(hydroxymethyl)glycoluril
Tetrahydro-1,3,4,6-tetrakis(hydroxymethyl)imidazo[4,5-d]imidazol-2,5(1H,3H)-dione
Tetramethylol acetylene carbamide
1,3,4,6-Tetrakis(hydroxymethyl)glycoluril
Q 172
1,3,4,6-Tetrakis(hydroxymethyl)tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
1,3,4,6-Tetrakis(hydroxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
Identifiers:
SMILES:
O=C1N(CO)C2C(N1CO)N(CO)C(=O)N2CO
InChI:
InChI=1S/C8H14N4O6/c13-1-9-5-6(11(3-15)7(9)17)12(4-16)8(18)10(5)2-14/h5-6,13-16H,1-4H2
Key Properties
Melting Point
137-138 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 262.22 g/mol | CAS Common Chemistry |
| 262.222 g/mol | RDKit | |
| 262.091334168 g/mol | RDKit | |
| Canonical SMILES | O=C1N(CO)C2N(C(=O)N(CO)C2N1CO)CO | CAS Common Chemistry |
| InChI | InChI=1S/C8H14N4O6/c13-1-9-5-6(11(3-15)7(9)17)12(4-16)8(18)10(5)2-14/h5-6,13-16H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=UUGLSEIATNSHRI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 137-138 °C | CAS Common Chemistry |
| Name | Tetramethylolacetylenediurea | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 128.02 Ų | RDKit |
| LogP | -3.0869999999999984 | RDKit |
| Molar Refractivity | 54.06720000000003 | RDKit |
