Product Name

  • Name

    BOC-(R)-3-AMINO-4-(3,4-DICHLORO-PHENYL)-BUTYRIC ACID

  • EINECS 222-980-0
  • CAS No. 269396-56-7
  • Article Data1
  • CAS DataBase
  • Density 1.294 g/cm3
  • Solubility
  • Melting Point
  • Formula C15H19Cl2NO4
  • Boiling Point 494.798 °C at 760 mmHg
  • Molecular Weight 348.22
  • Flash Point 253.045 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 269396-56-7 (BOC-(R)-3-AMINO-4-(3,4-DICHLORO-PHENYL)-BUTYRIC ACID)
  • Hazard Symbols
  • Synonyms Benzenebutanoic acid,3,4-dichloro-beta-[[(1,1-dimethylethoxy)carbonyl]amino]-,(betaR)-;Boc-(R)-3-Amino-4-(3,4-dichloro-phenyl)-butyric acid;
  • PSA 75.63000
  • LogP 4.29480

(3R)-3-[(tert-Butoxycarbonyl)amino]-4-(3,4-dichlorophenyl)butanoic acid Specification

The Boc-(R)-3-Amino-4-(3,4-dichloro-phenyl)-butyric acid, with the CAS registry number 269396-56-7, is also known as Benzenebutanoic acid,3,4-dichloro-beta-[[(1,1-dimethylethoxy)carbonyl]amino]-,(betaR)-. It belongs to the product categories of 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C15H19Cl2NO4 and molecular weight is 348.22. What's more, its systematic name is (3R)-3-[(tert-butoxycarbonyl)amino]-4-(3,4-dichlorophenyl)butanoic acid. It is irritant.

Physical properties of Boc-(R)-3-Amino-4-(3,4-dichloro-phenyl)-butyric acid are: (1)ACD/LogP: 4.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.94; (4)ACD/LogD (pH 7.4): 1.16; (5)ACD/BCF (pH 5.5): 48.93; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 239.68; (8)ACD/KOC (pH 7.4): 4.02; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 84.88 cm3; (15)Molar Volume: 269 cm3; (16)Surface Tension: 46.1 dyne/cm; (17)Density: 1.294 g/cm3; (18)Flash Point: 253 °C; (19)Enthalpy of Vaporization: 80.27 kJ/mol; (20)Boiling Point: 494.8 °C at 760 mmHg; (21)Vapour Pressure: 1.31E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1Cl)C[C@@H](NC(=O)OC(C)(C)C)CC(=O)O
(2)InChI: InChI=1S/C15H19Cl2NO4/c1-15(2,3)22-14(21)18-10(8-13(19)20)6-9-4-5-11(16)12(17)7-9/h4-5,7,10H,6,8H2,1-3H3,(H,18,21)(H,19,20)/t10-/m1/s1
(3)InChIKey: WJEUUKADFJNOHW-SNVBAGLBSA-N

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