hydrogen O-benzylhydroxylamine chloride

• ChemBase ID: 286777
• Molecular Formular: C7H9ClNO-
• Molecular Mass: 158.60546
• Monoisotopic Mass: 158.03726659
• SMILES: c1c(cccc1)CON.[Cl-]
• Canonical SMILES: NOCc1ccccc1.[Cl-]
• InChI: InChI=1S/C7H9NO.ClH/c8-9-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;1H/p-1
• InChIKey: HYDZPXNVHXJHBG-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: hydrogen O-benzylhydroxylamine chloride
• IUPAC Traditional name: hydrogen O-benzylhydroxylamine chloride
• Synonyms: O-Benzylhydroxylamine hydrochloride

Database IDs

• CAS Number: 2687-43-6
• MDL Number: MFCD00012952
• PubChem SID: 180672308
• PubChem CID: 22997009

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3476743
• LogD (pH = 7.4): 1.3617549
• Log P: 1.3619374
• Molar Refractivity: 36.9436 cm^3
• Polarizability: 14.390438 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%