1-amino-3-(3-methoxypropyl)urea

• ChemBase ID: 264448
• Molecular Formular: C5H13N3O2
• Molecular Mass: 147.17562
• Monoisotopic Mass: 147.10077667
• SMILES: C(=O)(NN)NCCCOC
• Canonical SMILES: COCCCNC(=O)NN
• InChI: InChI=1S/C5H13N3O2/c1-10-4-2-3-7-5(9)8-6/h2-4,6H2,1H3,(H2,7,8,9)
• InChIKey: DHFZKPSHEWAJNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11106084
• PubChem SID: 164320358
• PubChem CID: 43164140

CALCULATED PROPERTIES

• Acid pKa: 12.939732
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.4252951
• LogD (pH = 7.4): -1.4236712
• Log P: -1.4236493
• Molar Refractivity: 38.4323 cm^3
• Polarizability: 14.4704075 Å^3
• Polar Surface Area: 76.38 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.373

Product Information

• Purity: 95%