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Mx 270
CAS: 17464-88-9 | C12H22N4O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17464-88-9
Molecular Formula:
C12H22N4O6
Molecular Mass:
318.33 g/mol
Names and Synonyms:
Mx 270
Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-1,3,4,6-tetrakis(methoxymethyl)-
Glycoluril, 1,3,4,6-tetrakis(methoxymethyl)-
Glycoluril, tetrakis(methoxymethyl)-
Tetrahydro-1,3,4,6-tetrakis(methoxymethyl)imidazo[4,5-d]imidazole-2,5(1H,3H)-dione
Tetrakis(methoxymethyl)glyoxal diureine
Tetrakis(methoxymethyl)glycoluril
N,N′,N′′,N′′′-Tetrakis(methoxymethyl)glycoluril
Cymel 1174
Powderlink 1174
Tetramethoxymethyl glycoluril
1,3,4,6-Tetrakis(methoxymethyl)glycoluril
Nikalac MX 270
MX 270
Nikalac N 2702
PL 1174
PD 1174
Identifiers:
SMILES:
COCN1C(=O)N(COC)C2C1N(COC)C(=O)N2COC
InChI:
InChI=1S/C12H22N4O6/c1-19-5-13-9-10(15(7-21-3)11(13)17)16(8-22-4)12(18)14(9)6-20-2/h9-10H,5-8H2,1-4H3
Key Properties
Melting Point
90 °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 | 318.33 g/mol | CAS Common Chemistry |
| 318.3300000000001 g/mol | RDKit | |
| 318.153934424 g/mol | RDKit | |
| Canonical SMILES | O=C1N(COC)C2N(C(=O)N(COC)C2N1COC)COC | CAS Common Chemistry |
| InChI | InChI=1S/C12H22N4O6/c1-19-5-13-9-10(15(7-21-3)11(13)17)16(8-22-4)12(18)14(9)6-20-2/h9-10H,5-8H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XGQJGMGAMHFMAO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 90 °C | CAS Common Chemistry |
| Name | MX 270 | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 84.02000000000001 Ų | RDKit |
| LogP | -0.4705999999999986 | RDKit |
| Molar Refractivity | 73.22800000000005 | RDKit |
