N-(2,2,6,6-tetramethylpiperidin-4-ylidene)hydroxylamine hydrochloride

• ChemBase ID: 153832
• Molecular Formular: C9H19ClN2O
• Molecular Mass: 206.71296
• Monoisotopic Mass: 206.11859092
• SMILES: CC1(CC(=NO)CC(N1)(C)C)C.Cl
• Canonical SMILES: ON=C1CC(C)(C)NC(C1)(C)C.Cl
• InChI: InChI=1S/C9H18N2O.ClH/c1-8(2)5-7(10-12)6-9(3,4)11-8;/h11-12H,5-6H2,1-4H3;1H
• InChIKey: PMDFGKBTEGXYED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2,6,6-tetramethylpiperidin-4-ylidene)hydroxylamine hydrochloride
• IUPAC Traditional name: N-(2,2,6,6-tetramethylpiperidin-4-ylidene)hydroxylamine hydrochloride
• Synonyms: 2,2,6,6-tetramethypiperidone-4 oxime hydrochloride; TMP=NOH; Tempoxime hydrochloride

Database IDs

• MDL Number: MFCD00160775
• PubChem SID: 24900229; 162247971
• PubChem CID: 113266

CALCULATED PROPERTIES

• Acid pKa: 11.787934
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.0336573
• LogD (pH = 7.4): -1.4806098
• Log P: 0.96632975
• Molar Refractivity: 49.1045 cm^3
• Polarizability: 19.52228 Å^3
• Polar Surface Area: 44.62 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• Safety Statements: 36
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301
• GHS Precautionary statements: P301 + P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ≥98% (TLC)
• Empirical Formula (Hill Notation): C9H18N2O · HCl

DETAILS

Sigma Aldrich - T4819

Biochem/physiol Actions
Neuronal nicotinic AChR antagonist and potent ganglioblocker.
Physical form
Colorless crystal powder