(cyclopropylmethyl)urea

• ChemBase ID: 257808
• Molecular Formular: C5H10N2O
• Molecular Mass: 114.1457
• Monoisotopic Mass: 114.07931295
• SMILES: C(=O)(NCC1CC1)N
• Canonical SMILES: NC(=O)NCC1CC1
• InChI: InChI=1S/C5H10N2O/c6-5(8)7-3-4-1-2-4/h4H,1-3H2,(H3,6,7,8)
• InChIKey: IRQWLEOSDCDEHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclopropylmethyl)urea
• IUPAC Traditional name: cyclopropylmethylurea
• Synonyms: N-(cyclopropylmethyl)urea

Database IDs

• CAS Number: 61600-98-4
• MDL Number: MFCD00052859
• PubChem SID: 164313718
• PubChem CID: 9547713

CALCULATED PROPERTIES

• Acid pKa: 15.587516
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): -0.35958058
• LogD (pH = 7.4): -0.35958052
• Log P: -0.35958052
• Molar Refractivity: 29.9813 cm^3
• Polarizability: 11.584517 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 117 - 119°C
• Hydrophobicity(logP): -0.331

Product Information

• Purity: 95%