(E)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]hydroxylamine

• ChemBase ID: 102006
• Molecular Formular: C12H15NO
• Molecular Mass: 189.2536
• Monoisotopic Mass: 189.11536411
• SMILES: c1(cc2c(cc1)CCCC2)/C(=N/O)/C
• Canonical SMILES: O/N=C(/c1ccc2c(c1)CCCC2)\C
• InChI: InChI=1S/C12H15NO/c1-9(13-14)11-7-6-10-4-2-3-5-12(10)8-11/h6-8,14H,2-5H2,1H3/b13-9+
• InChIKey: YHTRKKWEUHAGME-UKTHLTGXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]hydroxylamine
• IUPAC Traditional name: (E)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]hydroxylamine
• Synonyms: (1E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone oxime

Database IDs

• CAS Number: 7357-12-2
• MDL Number: MFCD00099460
• PubChem SID: 162088353
• PubChem CID: 9561325

CALCULATED PROPERTIES

• Acid pKa: 9.41364
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9909718
• LogD (pH = 7.4): 2.9883628
• Log P: 2.9926274
• Molar Refractivity: 57.7647 cm^3
• Polarizability: 21.902918 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 90%