O-(butan-2-yl)hydroxylamine hydrochloride

• ChemBase ID: 247128
• Molecular Formular: C4H12ClNO
• Molecular Mass: 125.59718
• Monoisotopic Mass: 125.06074169
• SMILES: NOC(CC)C.Cl
• Canonical SMILES: CC(ON)CC.Cl
• InChI: InChI=1S/C4H11NO.ClH/c1-3-4(2)6-5;/h4H,3,5H2,1-2H3;1H
• InChIKey: TXSFSGZYQWSOEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: O-(butan-2-yl)hydroxylamine hydrochloride
• IUPAC Traditional name: O-(sec-butyl)hydroxylamine hydrochloride
• Synonyms: O-(butan-2-yl)hydroxylamine hydrochloride

Database IDs

• MDL Number: MFCD16877208
• PubChem SID: 164303038
• PubChem CID: 22415893

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8916107
• LogD (pH = 7.4): 0.93281823
• Log P: 0.9333697
• Molar Refractivity: 26.0224 cm^3
• Polarizability: 10.314882 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 59 - 61°C
• Hydrophobicity(logP): 0.314

Product Information

• Purity: 95%