N-cyclohexylhydroxylamine hydrochloride

• ChemBase ID: 150022
• Molecular Formular: C6H14ClNO
• Molecular Mass: 151.63446
• Monoisotopic Mass: 151.07639175
• SMILES: C1CCC(CC1)NO.Cl
• Canonical SMILES: ONC1CCCCC1.Cl
• InChI: InChI=1S/C6H13NO.ClH/c8-7-6-4-2-1-3-5-6;/h6-8H,1-5H2;1H
• InChIKey: SSVAHXZUFFSFER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexylhydroxylamine hydrochloride
• IUPAC Traditional name: N-cyclohexylhydroxylamine hydrochloride
• Synonyms: N-Cyclohexylhydroxylamine hydrochloride; N-环己基羟基胺 盐酸盐

Database IDs

• CAS Number: 25100-12-3
• EC Number: 246-612-3
• MDL Number: MFCD00012565
• PubChem SID: 24851221; 162244184
• PubChem CID: 3084432

CALCULATED PROPERTIES

• Log P: 1.2824502
• Molar Refractivity: 43.1904 cm^3
• Polarizability: 13.196873 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 15.643175
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.0799475
• LogD (pH = 7.4): 1.279213

PROPERTIES

Physical Property

• Melting Point: 166-171 °C(lit.)

Safety Information

• German water hazard class: 3

Product Information

• Purity: 97%
• Linear Formula: C6H11NHOH · HCl

DETAILS

Sigma Aldrich - 186465

Packaging
10 g in glass bottle