O-(2H3)methylhydroxylamine hydrochloride

• ChemBase ID: 172984
• Molecular Formular: CH6ClNO
• Molecular Mass: 83.51744
• Monoisotopic Mass: 83.0137915
• SMILES: O(N)C.Cl
• Canonical SMILES: CON.Cl
• InChI: InChI=1S/CH5NO.ClH/c1-3-2;/h2H2,1H3;1H
• InChIKey: XNXVOSBNFZWHBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: O-(^2H₃)methylhydroxylamine hydrochloride
• IUPAC Traditional name: O-(^2H₃)methylhydroxylamine hydrochloride
• Synonyms: O-(Methyl-d3)hydroxylamine Hydrochloride; (Aminooxy)methane-d3 Hydrochloride; Hydroxylamine (Methyl-d3) Ether Hydrochloride; Methoxyamine-d3 Hydrochloride; Methoxyammonium-d3 Chloride; N-Methoxylamine-d3 Hydrochloride; O-Methoxyamine-d3 Hydrochloride; O-Methylhydroxylamine-d3 Hydrochloride; Methoxyl-d3-amine Hydrochloride

Database IDs

• CAS Number: 110220-55-8
• PubChem SID: 164228894
• PubChem CID: 49849485

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.39036477
• LogD (pH = 7.4): -0.36289734
• Log P: -0.36253566
• Molar Refractivity: 12.331 cm^3
• Polarizability: 4.8056803 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - M262722

A labelled methoxime derivative as internal standard for Prostaglandin assays by gas chromatography-mass spectrometry.

REFERENCES

• Herold, D.A., et al.: Prostaglandins, 33, 599 (1987)