(trimethylsilyl)(triphenyl-λ5-phosphanylidene)amine

• ChemBase ID: 146851
• Molecular Formular: C21H24NPSi
• Molecular Mass: 349.481221
• Monoisotopic Mass: 349.14156294
• SMILES: C[Si](C)(C)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: C[Si](N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(C)C
• InChI: InChI=1S/C21H24NPSi/c1-24(2,3)22-23(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3
• InChIKey: YTKOPFGRNPVCPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (trimethylsilyl)(triphenyl-λ^5-phosphanylidene)amine
• IUPAC Traditional name: (trimethylsilyl)(triphenyl-λ^5-phosphanylidene)amine
• Synonyms: 1,1,1-Trimethyl-N-(triphenylphosphoranylidene)silanamine; 1,1,1-三甲基-N-(三苯基正膦亚基)硅烷胺

Database IDs

• CAS Number: 13892-06-3
• MDL Number: MFCD01321268
• PubChem SID: 162241043; 24870793
• PubChem CID: 139638

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.555758
• LogD (pH = 7.4): 6.9146614
• Log P: 7.057
• Molar Refractivity: 103.6774 cm^3
• Polarizability: 41.93502 Å^3
• Polar Surface Area: 12.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 76-82 °C(lit.)

Safety Information

• German water hazard class: 3

Product Information

• Purity: 97%
• Linear Formula: (C6H5)3P=NSi(CH3)3

DETAILS

Sigma Aldrich - 472255

Packaging
5 g in glass bottle