tert-butyl N-(triphenyl-$l^{5}-phosphanylidene)carbamate

• ChemBase ID: 64087
• Molecular Formular: C23H24NO2P
• Molecular Mass: 377.415921
• Monoisotopic Mass: 377.15446564
• SMILES: c1(P(=NC(=O)OC(C)(C)C)(c2ccccc2)c2ccccc2)ccccc1
• Canonical SMILES: O=C(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)OC(C)(C)C
• InChI: InChI=1S/C23H24NO2P/c1-23(2,3)26-22(25)24-27(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: KNXPVXCUELYHDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(triphenyl-$l^{5}-phosphanylidene)carbamate; tert-butyl N-(triphenyl-λ^5-phosphanylidene)carbamate
• IUPAC Traditional name: tert-butyl N-(triphenyl-$l^{5}-phosphanylidene)carbamate; tert-butyl N-(triphenyl-λ^5-phosphanylidene)carbamate
• Synonyms: tert-Butyl triphenylphosphoranylidenecarbamate; N-Boc-Imino-(triphenyl)phosphorane

Database IDs

• CAS Number: 68014-21-1
• MDL Number: MFCD00798174
• PubChem SID: 162029826
• PubChem CID: 2756802

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.185
• LogD (pH = 7.4): 6.185
• Log P: 6.185
• Molar Refractivity: 109.918 cm^3
• Polarizability: 43.395115 Å^3
• Polar Surface Area: 38.66 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%