N-methylidenehydroxylamine hydrochloride

• ChemBase ID: 107851
• Molecular Formular: CH4ClNO
• Molecular Mass: 81.50156
• Monoisotopic Mass: 80.99814143
• SMILES: Cl.ON=C
• Canonical SMILES: ON=C.Cl
• InChI: InChI=1S/CH3NO.ClH/c1-2-3;/h3H,1H2;1H
• InChIKey: ZNGCJNWNSDXSQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylidenehydroxylamine hydrochloride
• IUPAC Traditional name: oxime hydrochloride
• Synonyms: FORMALDOXIME HYDROCHLORIDE

Database IDs

• CAS Number: 3473-11-8
• EC Number: 222-440-4
• PubChem SID: 162094121
• PubChem CID: 20257314

CALCULATED PROPERTIES

• Acid pKa: 10.941323
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.45939052
• LogD (pH = 7.4): -0.45764396
• Log P: -0.45749563
• Molar Refractivity: 10.128699 cm^3
• Polarizability: 4.0376806 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: TQ0300000
• European Hazard Symbols: Harmful (Xn)
• Risk Statements: R:22
• Safety Statements: S:36/37/39

DETAILS

MP Biomedicals - 05205213

MP Biomedicals Rare Chemical collection