(R,R)-TsDPEN

The (1R,2R)-(-)-N-(4-Toluenesulfonyl)-1,2-diphenylethylenediamine, with the CAS registry number 144222-34-4, is also known as (R,R)-TsDPEN. It belongs to the product categories of Chiral; API intermediates; Asymmetric Synthesis; Synthetic Organic Chemistry; Chiral Compound; Asymmetric Synthesis; Chiral Catalysts, Ligands, and Reagents; HydrogenationChiral Building Blocks; Organic Building Blocks; Polyamines. This chemical's molecular formula is C₂₁H₂₂N₂O₂S and molecular weight is 366.48. Its IUPAC name is called [(1R,2R)-2-[(4-methylphenyl)sulfonylamino]-1,2-diphenylethyl]azanium. The product should be sealed and stored in cool and dry place which is white to slightly yellow crystals or crystalline.

Physical properties of (1R,2R)-(-)-N-(4-Toluenesulfonyl)-1,2-diphenylethylenediamine: (1)ACD/LogP: 4.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 3.64; (5)ACD/BCF (pH 5.5): 4.33; (6)ACD/BCF (pH 7.4): 204.83; (7)ACD/KOC (pH 5.5): 17.88; (8)ACD/KOC (pH 7.4): 845.81; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.626; (13)Molar Refractivity: 106.1 cm³; (14)Molar Volume: 299.3 cm³; (15)Surface Tension: 51.8 dyne/cm; (16)Density: 1.224 g/cm³; (17)Flash Point: 278.8 °C; (18)Enthalpy of Vaporization: 81.42 kJ/mol; (19)Boiling Point: 537.3 °C at 760 mmHg; (20)Vapour Pressure: 1.28E-11 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(C3=CC=CC=C3)[NH3+]
(2)Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)[NH3+]
(3)InChI: InChI=1S/C21H22N2O2S/c1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17/h2-15,20-21,23H,22H2,1H3/p+1/t20-,21-/m1/s1
(4)InChIKey: UOPFIWYXBIHPIP-NHCUHLMSSA-O