2-diphenylphosphanyl-N-[(1S,2S)-2-[(2-diphenylphosphanylbenzoyl)amino]cyclohexyl]benzamide

Catalog No: FT-0771117

CAS No: 169689-05-8

Chemical Name: 2-diphenylphosphanyl-N-[(1S,2S)-2-[(2-diphenylphosphanylbenzoyl)amino]cyclohexyl]benzamide
Molecular Formula: C44H40N2O2P2
Molecular Weight: 690.7
InChI Key: AXMSEDAJMGFTLR-ZAQUEYBZSA-N
InChI: InChI=1S/C44H40N2O2P2/c47-43(37-27-13-17-31-41(37)49(33-19-5-1-6-20-33)34-21-7-2-8-22-34)45-39-29-15-16-30-40(39)46-44(48)38-28-14-18-32-42(38)50(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-14,17-28,31-32,39-40H,15-16,29-30H2,(H,45,47)(H,46,48)/t39-,40-/m0/s1

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Bolling_Point:	817.0±65.0 °C at 760 mmHg
CAS:	169689-05-8
MF:	C44H40N2O2P2
Density:	N/A
Melting_Point:	134-136ºC
Product_Name:	(1S,2S)-(-)-1,2-Diaminocyclohexane-N,N-bis(2-diphenylphosphinobenzoyl)
Flash_Point:	447.9±34.3 °C
FW:	690.748

MF:	C44H40N2O2P2
Computational_Chemistry:	['1. XlogP :89 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :10 ', '5. Isotope Atom Count :3 ', '6. TPSA 582 ', '7. Heavy Atom Count :50 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :929 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :2 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
More_Info:	['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）134-136 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index无可用 ', '8 . Flash point（ºC）无可用 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用']
Exact_Mass:	690.256531
Vapor_Pressure:	0.0±2.9 mmHg at 25°C
Flash_Point:	447.9±34.3 °C
PSA:	85.38000
Molecular_Structure:	['1. Molar refractive index 无可用 ', '2 . Molar volume 无可用 ', '3 . Parachor （902K）无可用 ', '4 . Surface tension 无可用 ', '5 . Polarizability 无可用']
LogP:	9.87
Bolling_Point:	817.0±65.0 °C at 760 mmHg
FW:	690.748
Melting_Point:	134-136ºC

Personal_Protective_Equipment:	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard_Codes:	Xi:Irritant;
Risk_Statements(EU):	36/37/38
RIDADR:	NONH for all modes of transport
Safety_Statements:	S36-S37-S39