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Molecule
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
Identifiers
CAS Registry Number
17464-88-9
SMILES
COCN1C(=O)N(COC)C2C1N(COC)C(=O)N2COC
InChI Key
XGQJGMGAMHFMAO-UHFFFAOYSA-N
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
Names and Synonyms
- Mx 270 Synonym
- Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-1,3,4,6-tetrakis(methoxymethyl)- Synonym
- Glycoluril, 1,3,4,6-tetrakis(methoxymethyl)- Synonym
- Glycoluril, tetrakis(methoxymethyl)- Synonym
- Tetrahydro-1,3,4,6-tetrakis(methoxymethyl)imidazo[4,5-d]imidazole-2,5(1H,3H)-dione Synonym
- Tetrakis(methoxymethyl)glyoxal diureine Synonym
- Tetrakis(methoxymethyl)glycoluril Synonym
- N,N′,N′′,N′′′-Tetrakis(methoxymethyl)glycoluril Synonym
- Cymel 1174 Synonym
- Powderlink 1174 Synonym
- Tetramethoxymethyl glycoluril Synonym
- 1,3,4,6-Tetrakis(methoxymethyl)glycoluril Synonym
- Nikalac MX 270 Synonym
- MX 270 Synonym
- Nikalac N 2702 Synonym
- PL 1174 Synonym
- PD 1174 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 318.33 g/mol | CAS Common Chemistry |
| 318.3300000000001 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 |
| 84.02 Ų | RDKit | |
| 83.1 Ų | chempirical lib | |
| LogP | -0.4705999999999986 | RDKit |
| -0.4706 | RDKit | |
| Molar Refractivity | 73.22800000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 318.153934424 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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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.
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MW = 318.33 g/mol. Edit any field — others recompute live.
