1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione

• ChemBase ID: 77554
• Molecular Formular: C7H12N2O4
• Molecular Mass: 188.18118
• Monoisotopic Mass: 188.07970687
• SMILES: N1(CO)C(=O)C(N(C1=O)CO)(C)C
• Canonical SMILES: OCN1C(=O)N(C(C1=O)(C)C)CO
• InChI: InChI=1S/C7H12N2O4/c1-7(2)5(12)8(3-10)6(13)9(7)4-11/h10-11H,3-4H2,1-2H3
• InChIKey: WSDISUOETYTPRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione
• IUPAC Traditional name: dmdm hydantoin
• Synonyms: 1,3-Dimethylol-5,5-dimethylhydantoin; Glydant; DMDM hydantoin; 1,3-Bis(hydroxymethyl)-5,5-dimethylhydantoin; 1,3-Bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione; 1,3-bis(hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione

Database IDs

• CAS Number: 6440-58-0
• EC Number: 229-222-8
• MDL Number: MFCD00467199
• PubChem SID: 162042426
• PubChem CID: 22947
• Chemspider ID: 21482
• Unique Ingredient Identifier: BYR0546TOW
• Wikipedia Title: DMDM_hydantoin

CALCULATED PROPERTIES

• Acid pKa: 13.625976
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.1613404
• LogD (pH = 7.4): -1.1613406
• Log P: -1.1613404
• Molar Refractivity: 42.2503 cm^3
• Polarizability: 16.754286 Å^3
• Polar Surface Area: 81.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 97%