O-(3-chloroprop-2-en-1-yl)hydroxylamine hydrochloride

• ChemBase ID: 806592
• Molecular Formular: C3H7Cl2NO
• Molecular Mass: 143.99978
• Monoisotopic Mass: 142.99046921
• SMILES: Cl.NOCC=CCl
• Canonical SMILES: NOCC=CCl.Cl
• InChI: InChI=1S/C3H6ClNO.ClH/c4-2-1-3-6-5;/h1-2H,3,5H2;1H
• InChIKey: GZDAGPDHXQKVHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: O-(3-chloroprop-2-en-1-yl)hydroxylamine hydrochloride
• IUPAC Traditional name: O-(3-chloroprop-2-en-1-yl)hydroxylamine hydrochloride
• Synonyms: (3-TRANS-CHLOROALLYL)OXYAMINE HYDROCHLORIDE

Database IDs

• CAS Number: 96992-71-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6508337
• LogD (pH = 7.4): 0.685452
• Log P: 0.6859117
• Molar Refractivity: 26.2953 cm^3
• Polarizability: 10.105146 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%