1-amino-3-ethylurea

• ChemBase ID: 264321
• Molecular Formular: C3H9N3O
• Molecular Mass: 103.12306
• Monoisotopic Mass: 103.07456192
• SMILES: C(=O)(NN)NCC
• Canonical SMILES: CCNC(=O)NN
• InChI: InChI=1S/C3H9N3O/c1-2-5-3(7)6-4/h2,4H2,1H3,(H2,5,6,7)
• InChIKey: CJYIAZYTBJVFOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-3-ethylurea
• IUPAC Traditional name: 1-amino-3-ethylurea
• Synonyms: 1-amino-3-ethylurea

Database IDs

• MDL Number: MFCD11212739
• PubChem SID: 164320231
• PubChem CID: 12676225

CALCULATED PROPERTIES

• Acid pKa: 13.106002
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): -1.0814716
• LogD (pH = 7.4): -1.0798472
• Log P: -1.0798255
• Molar Refractivity: 27.272 cm^3
• Polarizability: 10.077635 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.595

Product Information

• Purity: 95%