(E)-N-[1-(adamantan-1-yl)ethylidene]hydroxylamine

• ChemBase ID: 113921
• Molecular Formular: C12H19NO
• Molecular Mass: 193.28536
• Monoisotopic Mass: 193.14666423
• SMILES: C12(/C(=N/O)/C)CC3CC(C2)CC(C1)C3
• Canonical SMILES: O/N=C(/C12CC3CC(C2)CC(C1)C3)\C
• InChI: InChI=1S/C12H19NO/c1-8(13-14)12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11,14H,2-7H2,1H3/b13-8+
• InChIKey: NOWUKHMRBUCWRA-MDWZMJQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N-[1-(adamantan-1-yl)ethylidene]hydroxylamine
• IUPAC Traditional name: (E)-N-[1-(adamantan-1-yl)ethylidene]hydroxylamine
• Synonyms: 1-Adamantan-1-yl-ethanone oxime

Database IDs

• PubChem SID: 162106945
• PubChem CID: 5925465

CALCULATED PROPERTIES

• Acid pKa: 10.743068
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.718153
• LogD (pH = 7.4): 2.7186701
• Log P: 2.7188816
• Molar Refractivity: 55.7611 cm^3
• Polarizability: 22.06311 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.462

Product Information

• Purity: 95+%