1-amino-3-(3-ethoxypropyl)urea

• ChemBase ID: 264959
• Molecular Formular: C6H15N3O2
• Molecular Mass: 161.2022
• Monoisotopic Mass: 161.11642674
• SMILES: C(=O)(NN)NCCCOCC
• Canonical SMILES: CCOCCCNC(=O)NN
• InChI: InChI=1S/C6H15N3O2/c1-2-11-5-3-4-8-6(10)9-7/h2-5,7H2,1H3,(H2,8,9,10)
• InChIKey: WXJWBLRYYARNSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-3-(3-ethoxypropyl)urea
• IUPAC Traditional name: 1-amino-3-(3-ethoxypropyl)urea
• Synonyms: 1-amino-3-(3-ethoxypropyl)urea

Database IDs

• MDL Number: MFCD11212771
• PubChem SID: 164320869
• PubChem CID: 43164074

CALCULATED PROPERTIES

• Acid pKa: 13.020683
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.0684872
• LogD (pH = 7.4): -1.0668631
• Log P: -1.0668412
• Molar Refractivity: 43.1809 cm^3
• Polarizability: 16.295288 Å^3
• Polar Surface Area: 76.38 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.984

Product Information

• Purity: 95%