(naphthalen-1-yl)urea

• ChemBase ID: 108988
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: NC(=O)Nc1cccc2c1cccc2
• Canonical SMILES: NC(=O)Nc1cccc2c1cccc2
• InChI: InChI=1S/C11H10N2O/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,12,13,14)
• InChIKey: FVSUYFWWFUVGRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (naphthalen-1-yl)urea
• IUPAC Traditional name: naphthalen-1-yl-urea
• Synonyms: α-NAPHTHYLUREA; 1-(Naphthalen-1-yl)urea; (naphthalen-1-yl)urea

Database IDs

• CAS Number: 6950-84-1
• MDL Number: MFCD00021444
• PubChem SID: 162094807
• PubChem CID: 81387

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 1.8668875
• LogD (pH = 7.4): 1.8668865
• Log P: 1.8668875
• Molar Refractivity: 56.0479 cm^3
• Polarizability: 22.037823 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 13.031557

PROPERTIES

Physical Property

• Melting Point: 284 - 286°C
• Hydrophobicity(logP): 2.019

Product Information

• Purity: 95%; 95+%

DETAILS

MP Biomedicals - 05209442

MP Biomedicals Rare Chemical collection