Product Name

  • Name

    (2S,5R)-N-Boc-5-tert-butylpyrrolidine-2-carboxylic acid

  • EINECS
  • CAS No. 185142-15-8
  • Article Data3
  • CAS DataBase
  • Density 1.105 g/cm3
  • Solubility
  • Melting Point
  • Formula C14H25NO4
  • Boiling Point 373.8 °C at 760 mmHg
  • Molecular Weight 271.35
  • Flash Point 179.9 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 185142-15-8 ((2S,5R)-N-Boc-5-tert-butylpyrrolidine-2-carboxylic acid)
  • Hazard Symbols
  • Synonyms (2S,5R)-1-(tert-Butoxycarbonyl)-5-tert-butylpyrrolidine-2-carboxylic acid;(2S,5R)-5-(1,1-Dimethylethyl)-1,2-pyrrolidinedicarboxylic acid 1-(1,1-dimethylethyl) ester;
  • PSA 66.84000
  • LogP 2.82310

(2S,5R)-N-Boc-5-tert-butylpyrrolidine-2-carboxylic acid Specification

The CAS register number of (2S,5R)-N-Boc-5-tert-butylpyrrolidine-2-carboxylic acid is 185142-15-8. It also can be called as (2S,5R)-1-(tert-Butoxycarbonyl)-5-tert-butylpyrrolidine-2-carboxylic acid and the systematic name about this chemical is 1,2-pyrrolidinedicarboxylic acid, 5-(1,1-dimethylethyl)-, 1-(1,1-dimethylethyl) ester, (2S,5R)-. The molecular formula about this chemical is C14H25NO4 and the molecular weight is 271.35.

Physical properties about (2S,5R)-N-Boc-5-tert-butylpyrrolidine-2-carboxylic acid are: (1)ACD/LogP: 2.28; (2)ACD/LogD (pH 5.5): 0.79; (3)ACD/BCF (pH 5.5): 1.03; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 13.34; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 66.84 Å2; (11)Index of Refraction: 1.491; (12)Molar Refractivity: 71.13 cm3; (13)Molar Volume: 245.4 cm3; (14)Polarizability: 28.19x10-24cm3; (15)Surface Tension: 41.7 dyne/cm; (16)Density: 1.105 g/cm3; (17)Flash Point: 179.9 °C; (18)Enthalpy of Vaporization: 68.2 kJ/mol; (19)Boiling Point: 373.8 °C at 760 mmHg; (20)Vapour Pressure: 1.29E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)[C@H]1CC[C@H](N1C(=O)OC(C)(C)C)C(=O)O
(2)InChI: InChI=1/C14H25NO4/c1-13(2,3)10-8-7-9(11(16)17)15(10)12(18)19-14(4,5)6/h9-10H,7-8H2,1-6H3,(H,16,17)/t9-,10+/m0/s1
(3)InChIKey: WODLVEFJKWRNHB-VHSXEESVBB
(4)Std. InChI: InChI=1S/C14H25NO4/c1-13(2,3)10-8-7-9(11(16)17)15(10)12(18)19-14(4,5)6/h9-10H,7-8H2,1-6H3,(H,16,17)/t9-,10+/m0/s1
(5)Std. InChIKey: WODLVEFJKWRNHB-VHSXEESVSA-N

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