1-amino-1-methylurea

• ChemBase ID: 245518
• Molecular Formular: C2H7N3O
• Molecular Mass: 89.09648
• Monoisotopic Mass: 89.05891186
• SMILES: C(=O)(N(N)C)N
• Canonical SMILES: NC(=O)N(N)C
• InChI: InChI=1S/C2H7N3O/c1-5(4)2(3)6/h4H2,1H3,(H2,3,6)
• InChIKey: DOORGKNGFZOACY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-1-methylurea
• IUPAC Traditional name: 1-amino-1-methylurea
• Synonyms: 1-amino-1-methylurea

Database IDs

• MDL Number: MFCD19216638
• PubChem SID: 164301428
• PubChem CID: 256004

CALCULATED PROPERTIES

• Acid pKa: 15.787047
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.4411203
• LogD (pH = 7.4): -1.4366902
• Log P: -1.4366335
• Molar Refractivity: 22.5234 cm^3
• Polarizability: 8.260161 Å^3
• Polar Surface Area: 72.35 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 108 - 110°C
• Hydrophobicity(logP): -1.605

Product Information

• Purity: 95%