N,N-dimethylcarbamimidic acid

• ChemBase ID: 104945
• Molecular Formular: C3H8N2O
• Molecular Mass: 88.10842
• Monoisotopic Mass: 88.06366289
• SMILES: CN(C)C(=N)O
• Canonical SMILES: CN(C(=N)O)C
• InChI: InChI=1S/C3H8N2O/c1-5(2)3(4)6/h1-2H3,(H2,4,6)
• InChIKey: YBBLOADPFWKNGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylcarbamimidic acid
• IUPAC Traditional name: N,N-dimethylcarbamimidic acid
• Synonyms: N,N-Dimethylurea; 1,1-DIMETHYLUREA

Database IDs

• CAS Number: 598-94-7
• EC Number: 209-957-0
• PubChem SID: 162092290
• PubChem CID: 11737

CALCULATED PROPERTIES

• Acid pKa: 8.960333
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.3517182
• LogD (pH = 7.4): -1.8824311
• Log P: -0.69927466
• Molar Refractivity: 34.2706 cm^3
• Polarizability: 8.7723 Å^3
• Polar Surface Area: 47.32 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 02157846

Purity: 98%