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CAS No.: | 524674-65-5 |
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Name: | 3-benzyl-2-phenylpyrrolidine |
Molecular Structure: | |
Formula: | C17H19N |
Molecular Weight: | 237.34 |
Synonyms: | 3-Benzyl-2-phenylpyrrolidine; |
Density: | 1.044 g/cm3 |
Boiling Point: | 370.8 °C at 760 mmHg |
Flash Point: | 187 °C |
PSA: | 12.03000 |
LogP: | 3.90870 |
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The Pyrrolidine, 2-phenyl-3-(phenylmethyl)- has CAS registry number 524674-65-5. This chemical's molecular formula is C17H19N and molecular weight is 237.34. What's more, its systematic name is 3-Benzyl-2-phenylpyrrolidine.
Physical properties about Pyrrolidine, 2-phenyl-3-(phenylmethyl)- are: (1)ACD/LogD (pH 5.5): 0.7; (2)ACD/LogD (pH 7.4): 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2.22; (6)ACD/KOC (pH 7.4): 4.46; (7)#H bond acceptors: 1; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 3.24 Å2; (11)Index of Refraction: 1.577; (12)Molar Refractivity: 75.4 cm3; (13)Molar Volume: 227.2 cm3; (14)Polarizability: 29.89×10-24 cm3; (15)Surface Tension: 41.7 dyne/cm; (16)Density: 1.044 g/cm3; (17)Flash Point: 187 °C; (18)Enthalpy of Vaporization: 61.77 kJ/mol; (19)Boiling Point: 370.8 °C at 760 mmHg; (20)Vapour Pressure: 1.08E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(ccc1)CC3C(c2ccccc2)NCC3
(2) InChI: InChI=1/C17H19N/c1-3-7-14(8-4-1)13-16-11-12-18-17(16)15-9-5-2-6-10-15/h1-10,16-18H,11-13H2
(3) InChIKey: AAHAZKSZTLKSOV-UHFFFAOYAL