O-(2-phenoxyethyl)hydroxylamine hydrochloride

• ChemBase ID: 40986
• Molecular Formular: C8H12ClNO2
• Molecular Mass: 189.63938
• Monoisotopic Mass: 189.05565631
• SMILES: NOCCOc1ccccc1.Cl
• Canonical SMILES: NOCCOc1ccccc1.Cl
• InChI: InChI=1S/C8H11NO2.ClH/c9-11-7-6-10-8-4-2-1-3-5-8;/h1-5H,6-7,9H2;1H
• InChIKey: OVSNPPTZTPXOLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: O-(2-phenoxyethyl)hydroxylamine hydrochloride
• IUPAC Traditional name: O-(2-phenoxyethyl)hydroxylamine hydrochloride
• Synonyms: 1-[2-(Aminooxy)ethoxy]benzene hydrochloride; 1-[2-(Aminooxy)ethoxy]benzene hydrochloride; O-(2-Phenoxyethyl)hydroxylamine hydrochloride

Database IDs

• CAS Number: 5397-72-8
• MDL Number: MFCD01114593
• PubChem SID: 162045749
• PubChem CID: 12604316

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2614245
• LogD (pH = 7.4): 1.2812551
• Log P: 1.2815139
• Molar Refractivity: 42.8832 cm^3
• Polarizability: 16.904188 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 182 - 188 °C; 182-188°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%