N-[1-(2-chlorophenyl)-1-methoxypropan-2-yl]hydroxylamine

• ChemBase ID: 248120
• Molecular Formular: C10H14ClNO2
• Molecular Mass: 215.67666
• Monoisotopic Mass: 215.07130637
• SMILES: c1(C(C(NO)C)OC)c(Cl)cccc1
• Canonical SMILES: COC(c1ccccc1Cl)C(NO)C
• InChI: InChI=1S/C10H14ClNO2/c1-7(12-13)10(14-2)8-5-3-4-6-9(8)11/h3-7,10,12-13H,1-2H3
• InChIKey: RKXBNTAHBSGATO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2-chlorophenyl)-1-methoxypropan-2-yl]hydroxylamine
• IUPAC Traditional name: N-[1-(2-chlorophenyl)-1-methoxypropan-2-yl]hydroxylamine
• Synonyms: N-[1-(2-chlorophenyl)-1-methoxypropan-2-yl]hydroxylamine

Database IDs

• PubChem SID: 164304030
• PubChem CID: 71758392

CALCULATED PROPERTIES

• Acid pKa: 15.626737
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.2293613
• LogD (pH = 7.4): 2.2409148
• Log P: 2.241064
• Molar Refractivity: 66.7261 cm^3
• Polarizability: 22.406347 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.823

Product Information

• Purity: 95%