N-cyclopentylhydroxylamine hydrochloride

• ChemBase ID: 247365
• Molecular Formular: C5H12ClNO
• Molecular Mass: 137.60788
• Monoisotopic Mass: 137.06074169
• SMILES: N(O)C1CCCC1.Cl
• Canonical SMILES: ONC1CCCC1.Cl
• InChI: InChI=1S/C5H11NO.ClH/c7-6-5-3-1-2-4-5;/h5-7H,1-4H2;1H
• InChIKey: YDYAXGCZWFLHHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentylhydroxylamine hydrochloride
• IUPAC Traditional name: N-cyclopentylhydroxylamine hydrochloride
• Synonyms: N-cyclopentylhydroxylamine hydrochloride

Database IDs

• PubChem SID: 164303275
• PubChem CID: 21496528

CALCULATED PROPERTIES

• Acid pKa: 15.643175
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.65525967
• LogD (pH = 7.4): 0.83503187
• Log P: 0.83788157
• Molar Refractivity: 38.5894 cm^3
• Polarizability: 11.356206 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 78 - 80°C
• Hydrophobicity(logP): 0.368

Product Information

• Purity: 95%