1,1-dimethyl-3-[2-(methylamino)ethyl]urea

• ChemBase ID: 246058
• Molecular Formular: C6H15N3O
• Molecular Mass: 145.2028
• Monoisotopic Mass: 145.12151212
• SMILES: C(=O)(N(C)C)NCCNC
• Canonical SMILES: CNCCNC(=O)N(C)C
• InChI: InChI=1S/C6H15N3O/c1-7-4-5-8-6(10)9(2)3/h7H,4-5H2,1-3H3,(H,8,10)
• InChIKey: GAIFIMODEWLZIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dimethyl-3-[2-(methylamino)ethyl]urea
• IUPAC Traditional name: 1,1-dimethyl-3-[2-(methylamino)ethyl]urea
• Synonyms: 1,1-dimethyl-3-[2-(methylamino)ethyl]urea

Database IDs

• MDL Number: MFCD21809909
• PubChem SID: 164301968
• PubChem CID: 71683237

CALCULATED PROPERTIES

• Acid pKa: 15.861826
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.24
• LogD (pH = 7.4): -3.2012415
• Log P: -1.0572091
• Molar Refractivity: 40.5571 cm^3
• Polarizability: 15.66273 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.657

Product Information

• Purity: 95%