Product Name

  • Name

    4-Phenyl-1,3-pyrrolidinedicarboxylic acid 1-(tert-butyl) ester

  • EINECS
  • CAS No. 939757-89-8
  • Article Data4
  • CAS DataBase
  • Density 1.196 g/cm3
  • Solubility
  • Melting Point
  • Formula C16H21NO4
  • Boiling Point 441.5 °C at 760 mmHg
  • Molecular Weight 291.347
  • Flash Point 220.8 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 939757-89-8 (4-Phenyl-1,3-pyrrolidinedicarboxylic acid 1-(tert-butyl) ester)
  • Hazard Symbols
  • Synonyms 1-(tert-Butoxycarbonyl)-4-phenylpyrrolidine-3-carboxylic acid;4-Phenyl-1,3-pyrrolidinedicarboxylic acid 1-(tert-butyl) ester;1-(boc)-4-phenylpyrrolidine-3-carboxylic acid
  • PSA 66.84000
  • LogP 2.65960

1-(tert-Butoxycarbonyl)-4-phenylpyrrolidine-3-carboxylic acid Specification

The Systematic name about this chemical is 1-(tert-butoxycarbonyl)-4-phenylpyrrolidine-3-carboxylic acid. The cas register number of 1-(tert-Butoxycarbonyl)-4-phenylpyrrolidine-3-carboxylic acid is 939757-89-8. It also can be called as 1,3-pyrrolidinedicarboxylic acid, 4-phenyl-, 1-(1,1-dimethylethyl) ester.

Physical properties about 1-(tert-Butoxycarbonyl)-4-phenylpyrrolidine-3-carboxylic acid are: storage temp: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.33; (4)ACD/BCF (pH 5.5): 3.11; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 35.42; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 55.84 Å2; (12)Index of Refraction: 1.548; (13)Molar Refractivity: 77.37 cm3; (14)Molar Volume: 243.3 cm3; (15)Surface Tension: 48.1 dyne/cm; (16)Density: 1.196 g/cm3; (17)Flash Point: 220.8 °C; (18)Enthalpy of Vaporization: 73.65 kJ/mol; (19)Boiling Point: 441.5 °C at 760 mmHg; (20)Vapour Pressure: 1.43E-08 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C(OC(C)(C)C)N2CC(c1ccccc1)C(C(=O)O)C2
2.InChI: InChI=1/C16H21NO4/c1-16(2,3)21-15(20)17-9-12(13(10-17)14(18)19)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,18,19) 
3.InChIKey: KEWYECRQALNJJM-UHFFFAOYAK
4.Std. InChI: InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-9-12(13(10-17)14(18)19)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,18,19).

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View