[(4-methoxyphenyl)methoxy]azanium chloride

• ChemBase ID: 294000
• Molecular Formular: C8H12ClNO2
• Molecular Mass: 189.63938
• Monoisotopic Mass: 189.05565631
• SMILES: [NH3+]OCc1ccc(OC)cc1.[Cl-]
• Canonical SMILES: COc1ccc(cc1)CO[NH3+].[Cl-]
• InChI: InChI=1S/C8H12NO2.ClH/c1-10-8-4-2-7(3-5-8)6-11-9;/h2-5H,6H2,1,9H3;1H/q+1;/p-1
• InChIKey: UMBKWIIPZYVJJP-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-methoxyphenyl)methoxy]azanium chloride
• IUPAC Traditional name: [(4-methoxyphenyl)methoxy]azanium chloride
• Synonyms: O-(4-Methoxybenzyl)hydroxylamine hydrochloride

Database IDs

• CAS Number: 876-33-5
• MDL Number: MFCD01114582
• PubChem SID: 180679531
• PubChem CID: 2763879

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.189122
• LogD (pH = 7.4): 1.2040722
• Log P: 1.2042662
• Molar Refractivity: 53.6376 cm^3
• Polarizability: 16.83529 Å^3
• Polar Surface Area: 46.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%