N-(adamantan-2-ylidene)hydroxylamine

• ChemBase ID: 58470
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: C1C2CC3CC1CC(/C/3=N/O)C2
• Canonical SMILES: O/N=C/1\C2CC3CC1CC(C2)C3
• InChI: InChI=1S/C10H15NO/c12-11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9,12H,1-5H2/b11-10-
• InChIKey: RABVIFXMFZFITE-KHPPLWFESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(adamantan-2-ylidene)hydroxylamine
• IUPAC Traditional name: 2-adamantanone, oxime
• Synonyms: Adamantan-2-one oxime; 2-Adamantanone oxime

Database IDs

• CAS Number: 4500-12-3
• EC Number: 224-807-4
• MDL Number: MFCD00078273
• PubChem SID: 162063233
• PubChem CID: 64158

CALCULATED PROPERTIES

• Acid pKa: 11.600184
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2297125
• LogD (pH = 7.4): 2.230199
• Log P: 2.230233
• Molar Refractivity: 46.7109 cm^3
• Polarizability: 18.380129 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Moisture Sensitive
• RTECS: AU5018500
• TSCA Listed: false; 否

Product Information

• Purity: 97%