Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Boc-3-phenyl-pyrrolidine |
EINECS | N/A |
CAS No. | 147410-43-3 | Density | 1.07 g/cm3 |
PSA | 29.54000 | LogP | 3.34890 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H21NO2 | Boiling Point | 342.78 °C at 760 mmHg |
Molecular Weight | 247.337 | Flash Point | 161.108 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-BOC-3-PHENYL-PYRROLIDINE ;3-Phenyl-pyrrolidine-1-carboxylic acid tert-butyl ester |
Article Data | 6 |
This chemical is called tert-Butyl 3-phenylpyrrolidine-1-carboxylate, and its CAS registry number is 147410-43-3. With the molecular formula of C15H21NO2, its molecular weight is 247.33.
Other characteristics of the tert-Butyl 3-phenylpyrrolidine-1-carboxylate can be summarised as followings: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.09; (4)ACD/LogD (pH 7.4): 3.09; (5)ACD/BCF (pH 5.5): 131.92; (6)ACD/BCF (pH 7.4): 131.92; (7)ACD/KOC (pH 5.5): 1146.36; (8)ACD/KOC (pH 7.4): 1146.36; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 71.27 cm3; (15)Molar Volume: 231.1 cm3; (16)Polarizability: 28.25×10-24cm3; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.07 g/cm3; (19)Flash Point: 161.1 °C; (20)Enthalpy of Vaporization: 58.66 kJ/mol; (21)Boiling Point: 342.8 °C at 760 mmHg; (22)Vapour Pressure: 7.36E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(C)(C)C)N2CCC(c1ccccc1)C2
2.InChI: InChI=1/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-UHFFFAOYAN