Product Name

  • Name

    3-[(TERT-BUTOXYCARBONYL)AMINO]-3-(3-FLUOROPHENYL)PROPANOIC ACID

  • EINECS -0
  • CAS No. 284493-59-0
  • Density 1.214 g/cm3
  • Solubility
  • Melting Point 124-126°C
  • Formula C14H18FNO4
  • Boiling Point 422.1 °C at 760 mmHg
  • Molecular Weight 283.3
  • Flash Point 209.1 °C
  • Transport Information
  • Appearance
  • Safety 24/25
  • Risk Codes
  • Molecular Structure Molecular Structure of 284493-59-0 (3-[(TERT-BUTOXYCARBONYL)AMINO]-3-(3-FLUOROPHENYL)PROPANOIC ACID)
  • Hazard Symbols IrritantXi
  • Synonyms 3-N-BOC-AMINO-3-(3-FLUOROPHENYL)PROPIONIC ACID;3-(BOC-AMINO)-3-(3-FLUOROPHENYL)PROPIONIC ACID;3-[(TERT-BUTOXYCARBONYL)AMINO]-3-(3-FLUOROPHENYL)PROPANOIC ACID;3-TERT-BUTOXYCARBONYLAMINO-3-(3-FLUORO-PHENYL)-PROPIONIC ACID;RARECHEM AK HT T308;Boc-3-AMino-3-(3-fluorophenyl)propionic acid
  • PSA 75.63000
  • LogP 3.25710

3-N-Boc-amino-3-(3-fluorophenyl)propionic acid Specification

This chemical is called 3-N-Boc-amino-3-(3-fluorophenyl)propionic acid, and its systematic name is 3-[(tert-butoxycarbonyl)amino]-3-(3-fluorophenyl)propanoic acid. With the molecular formula of C14H18FNO4, its molecular weight is 283.29. The CAS registry number of this chemical is 284493-59-0. This chemical is irritant. please avoid contacting with skin and eyes.

Other characteristics of the 3-N-Boc-amino-3-(3-fluorophenyl)propionic acid can be summarised as followings: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): -0.39; (5)ACD/BCF (pH 5.5): 2.96; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.23; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 70.49 cm3; (15)Molar Volume: 233.2 cm3; (16)Polarizability: 27.94×10-24cm3; (17)Surface Tension: 43.2 dyne/cm; (18)Density: 1.214 g/cm3; (19)Flash Point: 209.1 °C; (20)Enthalpy of Vaporization: 71.29 kJ/mol; (21)Boiling Point: 422.1 °C at 760 mmHg; (22)Vapour Pressure: 7.03E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Fc1cc(ccc1)C(NC(=O)OC(C)(C)C)CC(=O)O
2.InChI: InChI=1/C14H18FNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-5-4-6-10(15)7-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)
3.InChIKey: IQPQPXUDXQDVMK-UHFFFAOYAO

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