(R)-2,2-Binaphthoyl-(S,S)-di(1-phenylethyl)aminoylphosphine supplier

Name
(S)-(+)-(3,5-DIOXA-4-PHOSPHA-CYCLOHEPTA[2,1-A:3,4-A']DINAPHTHALEN-4-YL)BIS[(1R)-1-PHENYLETHYL]AMINE,DICHLOROMETHANE ADDUCT
EINECS
CAS No. 415918-91-1
Density
Solubility
Melting Point 102-103 °C
Formula C₃₆H₃₀NO₂P
Boiling Point 710.7 °C at 760 mmHg
Molecular Weight 539.613
Flash Point 383.6 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38-22
Molecular Structure
Hazard Symbols Xn
Synonyms (R)-2,2-Binaphthoyl-(S,S)-di(1-phenylethyl)aminoylphosphine;
PSA 35.29000
LogP 11.90400

(R)-2,2-Binaphthoyl-(S,S)-di(1-phenylethyl)aminoylphosphine Specification

The (R)-2,2-Binaphthoyl-(S,S)-di(1-phenylethyl)aminoylphosphine with the CAS number 415918-91-1 is also called Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine,N,N-bis[(1R)-1-phenylethyl]-, (11bR)-. The systematic name is N,N-bis[(1R)-1-phenylethyl]dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine. Its molecular formula is C₃₆H₃₀NO₂P.

The properties of the chemical are: (1)ACD/LogP: 10.33; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 10.33; (4)ACD/LogD (pH 7.4): 10.33; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 9896356; (8)ACD/KOC (pH 7.4): 9896366; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.29 Å²; (13)Enthalpy of Vaporization: 103.92 kJ/mol; (14)Vapour Pressure: 4.79×10^-20 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O1c6c(c4c(OP1N([C@@H](c2ccccc2)C)[C@@H](c3ccccc3)C)ccc5c4cccc5)c7c(cc6)cccc7
(2)InChI: InChI=1/C36H30NO2P/c1-25(27-13-5-3-6-14-27)37(26(2)28-15-7-4-8-16-28)40-38-33-23-21-29-17-9-11-19-31(29)35(33)36-32-20-12-10-18-30(32)22-24-34(36)39-40/h3-26H,1-2H3/t25-,26-/m1/s1
(3)InChIKey: LKZPDRCMCSBQFN-CLJLJLNGBW

Product Name

(S)-(+)-(3,5-DIOXA-4-PHOSPHA-CYCLOHEPTA[2,1-A:3,4-A']DINAPHTHALEN-4-YL)BIS[(1R)-1-PHENYLETHYL]AMINE,DICHLOROMETHANE ADDUCT

(R)-2,2-Binaphthoyl-(S,S)-di(1-phenylethyl)aminoylphosphine Specification

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