1-amino-3-ethyl-1-methylurea

• ChemBase ID: 245843
• Molecular Formular: C4H11N3O
• Molecular Mass: 117.14964
• Monoisotopic Mass: 117.09021199
• SMILES: C(=O)(N(N)C)NCC
• Canonical SMILES: CCNC(=O)N(N)C
• InChI: InChI=1S/C4H11N3O/c1-3-6-4(8)7(2)5/h3,5H2,1-2H3,(H,6,8)
• InChIKey: VIZDBCLFWNSSTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-3-ethyl-1-methylurea
• IUPAC Traditional name: 1-amino-3-ethyl-1-methylurea
• Synonyms: 1-amino-3-ethyl-1-methylurea

Database IDs

• MDL Number: MFCD19222462
• PubChem SID: 164301753
• PubChem CID: 12630778

CALCULATED PROPERTIES

• Acid pKa: 15.466648
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.86057025
• LogD (pH = 7.4): -0.8562054
• Log P: -0.8561495
• Molar Refractivity: 32.1687 cm^3
• Polarizability: 11.9025 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.504

Product Information

• Purity: 95%