1-Pyrrolidinecarboxylicacid, 3-phenyl-, 1,1-dimethylethyl ester, (3R)- (145549-11-7)

The (R)-1-Boc-3-Phenylpyrrolidine, with the CAS registry number 145549-11-7, is also known as (R)-3-Phenyl-pyrrolidine-1-carboxylic acid tert-butyl ester. This chemical's molecular formula is C₁₅H₂₁NO₂ and molecular weight is 247.33. Its IUPAC name and systematic name are the same which is called tert-butyl 3-phenylpyrrolidine-1-carboxylate.

Physical properties about this chemical are: (1)ACD/LogP: 3.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 132; (6)ACD/BCF (pH 7.4): 132; (7)ACD/KOC (pH 5.5): 1146; (8)ACD/KOC (pH 7.4): 1146; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.529; (13)Molar Refractivity: 71.272 cm³; (14)Molar Volume: 231.144 cm³; (15)Surface Tension: 39.87 dyne/cm; (16)Density: 1.07 g/cm³; (17)Flash Point: 161.108 °C; (18)Enthalpy of Vaporization: 58.657 kJ/mol; (19)Boiling Point: 342.78 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)N1CCC(C1)C2=CC=CC=C2
(2)InChI: InChI=1S/C15H21NO2/c1-15(2,3)18-14(17)16-10-9-13(11-16)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3
(3)InChIKey: REGWJCQNMMXFBM-UHFFFAOYSA-N