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Molecule
N,N′-Dibromo-5,5-dimethylhydantoin
CAS: 77-48-5 · C5H6Br2N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 77-48-5
- Molecular Formula
- C5H6Br2N2O2
- Molecular Mass
- 285.92 g/mol
Identifiers
CAS Registry Number
77-48-5
SMILES
CC1(C)C(=O)N(Br)C(=O)N1Br
InChI Key
VRLDVERQJMEPIF-UHFFFAOYSA-N
InChI
InChI=1S/C5H6Br2N2O2/c1-5(2)3(10)8(6)4(11)9(5)7/h1-2H3
Names and Synonyms
- N,N′-Dibromo-5,5-dimethylhydantoin Synonym
- Dbdmh Synonym
- 2,4-Imidazolidinedione, 1,3-dibromo-5,5-dimethyl- Synonym
- Hydantoin, 1,3-dibromo-5,5-dimethyl- Synonym
- 1,3-Dibromo-5,5-dimethyl-2,4-imidazolidinedione Synonym
- 1,3-Dibromo-5,5-dimethylhydantoin Synonym
- N,N′-Dibromodimethylhydantoin Synonym
- Dibromantin Synonym
- Dibromantine Synonym
- 5,5-Dimethyl-1,3-dibromohydantoin Synonym
- NSC 33305 Synonym
- 1,3-Dibromo-5,5-dimethylimidazolidine-2,4-dione Synonym
- 1,3-Dibromo-5,5-dimethylimidazolidin-2,4-dione Synonym
- Dibromohydantoin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 285.92 g/mol | CAS Common Chemistry |
| 285.923 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/DBDMH | CAS Common Chemistry |
| Canonical SMILES | O=C1N(Br)C(=O)C(N1Br)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H6Br2N2O2/c1-5(2)3(10)8(6)4(11)9(5)7/h1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VRLDVERQJMEPIF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 198 °C (decomp) | CAS Common Chemistry |
| Name | 1,3-Dibromo-5,5-dimethylhydantoin | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 40.620000000000005 Ų | RDKit |
| 40.62 Ų | RDKit | |
| 40.16 Ų | chempirical lib | |
| LogP | 1.649 | RDKit |
| 1.57 | chempirical lib | |
| Molar Refractivity | 46.01400000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 283.879601632 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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40
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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.
External Resources
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MW = 285.92 g/mol. Edit any field — others recompute live.
