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Molecule
Dmdm Hydantoin
CAS: 6440-58-0 · C7H12N2O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6440-58-0
- Molecular Formula
- C7H12N2O4
- Molecular Mass
- 188.18 g/mol
Identifiers
CAS Registry Number
6440-58-0
SMILES
CC1(C)C(=O)N(CO)C(=O)N1CO
InChI Key
WSDISUOETYTPRL-UHFFFAOYSA-N
InChI
InChI=1S/C7H12N2O4/c1-7(2)5(12)8(3-10)6(13)9(7)4-11/h10-11H,3-4H2,1-2H3
Names and Synonyms
- Dmdm Hydantoin Synonym
- 2,4-Imidazolidinedione, 1,3-bis(hydroxymethyl)-5,5-dimethyl- Synonym
- Hydantoin, 1,3-bis(hydroxymethyl)-5,5-dimethyl- Synonym
- 1,3-Bis(hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione Synonym
- 1,3-Bis(hydroxymethyl)-5,5-dimethylhydantoin Synonym
- Dimethylol-5,5-dimethylhydantoin Synonym
- N,N′-Dimethylol-5,5-dimethylhydantoin Synonym
- DMDMH Synonym
- DMDM Hydantoin Synonym
- Dantoin DMDMH 55 Synonym
- 1,3-Dimethylol-5,5-dimethylhydantoin Synonym
- DMDMH 55 Synonym
- Glydant Synonym
- Glydant XL 1000 Synonym
- Dantogard 2000 Synonym
- 1,3-Dihydroxymethyl-5,5-dimethylhydantoin Synonym
- Gidol Synonym
- Dantogard Synonym
- Surcide DMH Synonym
- Mackstat DM Synonym
- Nipaguard DMDMH Synonym
- Dekafald Synonym
- 1,3-Bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione Synonym
- Glydant LTD Synonym
- Mergal 395 Synonym
- K 2000 Synonym
- K 2000 (preservative) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 188.18 g/mol | CAS Common Chemistry |
| 188.183 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/DMDM_hydantoin | CAS Common Chemistry |
| Canonical SMILES | O=C1N(C(=O)C(N1CO)(C)C)CO | CAS Common Chemistry |
| InChI | InChI=1S/C7H12N2O4/c1-7(2)5(12)8(3-10)6(13)9(7)4-11/h10-11H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WSDISUOETYTPRL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 1.00-2.5 °C | CAS Common Chemistry |
| Name | DMDM Hydantoin | CAS Common Chemistry |
| DMDM hydantoin | CAS Common Chemistry | |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 81.08000000000001 Ų | RDKit |
| 81.08 Ų | RDKit | |
| 80.62 Ų | chempirical lib | |
| LogP | -1.0712000000000002 | RDKit |
| -1.0712 | RDKit | |
| Molar Refractivity | 42.33160000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7143 | RDKit |
| 0.71 | chempirical lib | |
| Exact Mass | 188.079706864 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 188.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H12N2O4.
