O-propylhydroxylamine hydrochloride

• ChemBase ID: 40238
• Molecular Formular: C3H10ClNO
• Molecular Mass: 111.5706
• Monoisotopic Mass: 111.04509163
• SMILES: NOCCC.Cl
• Canonical SMILES: CCCON.Cl
• InChI: InChI=1S/C3H9NO.ClH/c1-2-3-5-4;/h2-4H2,1H3;1H
• InChIKey: FDVFCJYDSZGNLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: O-propylhydroxylamine hydrochloride
• IUPAC Traditional name: O-propylhydroxylamine hydrochloride
• Synonyms: 1-(Aminooxy)propane hydrochloride

Database IDs

• CAS Number: 6084-54-4
• MDL Number: MFCD00231456
• PubChem SID: 162045001
• PubChem CID: 12283955

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.48350006
• LogD (pH = 7.4): 0.51635927
• Log P: 0.5167947
• Molar Refractivity: 21.6036 cm^3
• Polarizability: 8.474427 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 148 - 152 °C; 148-152°C

Safety Information

• Storage Condition: Store under N2 at 4°C
• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%