O-(triphenylmethyl)hydroxylamine

• ChemBase ID: 145991
• Molecular Formular: C19H17NO
• Molecular Mass: 275.34438
• Monoisotopic Mass: 275.13101417
• SMILES: c1ccc(cc1)C(c1ccccc1)(c1ccccc1)ON
• Canonical SMILES: NOC(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H17NO/c20-21-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,20H2
• InChIKey: NZFHJBSDSXDUAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: O-(triphenylmethyl)hydroxylamine
• IUPAC Traditional name: O-(triphenylmethyl)hydroxylamine
• Synonyms: O-(Triphenylmethyl)hydroxylamine; Trityloxyamine; O-Tritylhydroxylamine; O-(三苯基甲基)羟胺; 三苯甲氧基胺; O-三苯甲基羟胺

Database IDs

• CAS Number: 31938-11-1
• EC Number: 250-868-1
• MDL Number: MFCD00042818
• Beilstein Number: 1983917
• PubChem SID: 162240191; 24862034
• PubChem CID: 3015602

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.7764916
• LogD (pH = 7.4): 4.794189
• Log P: 4.7944193
• Molar Refractivity: 87.3812 cm^3
• Polarizability: 33.64928 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79-81 °C(lit.); 84-88 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (HPLC); 95%
• Grade: purum
• Linear Formula: (C6H5)3CONH2

DETAILS

Sigma Aldrich - 358894

Packaging
1, 5 g in glass bottle

Sigma Aldrich - 93462

Other Notes
A useful O-protected form of hydroxylamine1