N,N-dimethylhydroxylamine hydrochloride

• ChemBase ID: 146357
• Molecular Formular: C2H8ClNO
• Molecular Mass: 97.54402
• Monoisotopic Mass: 97.02944156
• SMILES: CN(C)O.Cl
• Canonical SMILES: CN(O)C.Cl
• InChI: InChI=1S/C2H7NO.ClH/c1-3(2)4;/h4H,1-2H3;1H
• InChIKey: HWWVAHCWJLGKLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylhydroxylamine hydrochloride
• IUPAC Traditional name: N,N-dimethylhydroxylamine hydrochloride
• Synonyms: N,N-Dimethylhydroxylamine hydrochloride; N,N-二甲基羟胺 盐酸盐

Database IDs

• CAS Number: 16645-06-0
• EC Number: 240-691-8
• MDL Number: MFCD00012600
• Beilstein Number: 3905683
• PubChem SID: 24853241; 162240555
• PubChem CID: 27969

CALCULATED PROPERTIES

• Acid pKa: 16.431698
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.62407374
• LogD (pH = 7.4): -0.5753838
• Log P: -0.5747262
• Molar Refractivity: 16.458 cm^3
• Polarizability: 6.5665693 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 105-108 °C; 107-109 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (AT); 99%
• Grade: purum
• Linear Formula: (CH3)2NOH · HCl

DETAILS

Sigma Aldrich - 221457

Application
Useful as a polymer-chain terminator.
Packaging
5, 25 g in glass bottle