(Z)-N-[2-(adamantan-1-yl)-1-(4-methoxyphenyl)ethylidene]hydroxylamine

• ChemBase ID: 233259
• Molecular Formular: C19H25NO2
• Molecular Mass: 299.4073
• Monoisotopic Mass: 299.18852905
• SMILES: C12(C/C(=N/O)/c3ccc(cc3)OC)CC3CC(C1)CC(C2)C3
• Canonical SMILES: COc1ccc(cc1)/C(=N\O)/CC12CC3CC(C2)CC(C1)C3
• InChI: InChI=1S/C19H25NO2/c1-22-17-4-2-16(3-5-17)18(20-21)12-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15,21H,6-12H2,1H3/b20-18-
• InChIKey: WZCKOEWWCQVWMI-ZZEZOPTASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N-[2-(adamantan-1-yl)-1-(4-methoxyphenyl)ethylidene]hydroxylamine
• IUPAC Traditional name: (Z)-N-[2-(adamantan-1-yl)-1-(4-methoxyphenyl)ethylidene]hydroxylamine
• Synonyms: (1Z)-2-(1-adamantyl)-1-(4-methoxyphenyl)ethanone oxime

Database IDs

• MDL Number: MFCD06336101
• PubChem SID: 164289169
• PubChem CID: 5708268

CALCULATED PROPERTIES

• Acid pKa: 8.891465
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.917479
• LogD (pH = 7.4): 3.9047217
• Log P: 3.9184582
• Molar Refractivity: 87.0395 cm^3
• Polarizability: 34.164757 Å^3
• Polar Surface Area: 41.82 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.588

Product Information

• Purity: 95%