1-Boc-3-phenyl-pyrrolidine supplier

Name
1-Boc-3-phenyl-pyrrolidine
EINECS
CAS No. 147410-43-3
Article Data6
CAS DataBase
Density 1.07 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₁NO₂
Boiling Point 342.78 °C at 760 mmHg
Molecular Weight 247.337
Flash Point 161.108 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-BOC-3-PHENYL-PYRROLIDINE ;3-Phenyl-pyrrolidine-1-carboxylic acid tert-butyl ester
PSA 29.54000
LogP 3.34890

1-Boc-3-phenyl-pyrrolidine Specification

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

Product Name

1-Boc-3-phenyl-pyrrolidine

1-Boc-3-phenyl-pyrrolidine Specification

Related Products

Hot Products