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(S)-Cbz-Phenylalaninol

  • Name (S)-Cbz-Phenylalaninol
  • EINECS1533716-785-6
  • CAS No. 6372-14-1
  • Density1.175 g/cm3
  • PSA58.56000
  • LogP2.90730
  • Solubilityinsoluble in water
  • Melting Point92-95 °C
  • FormulaC17H19NO3
  • Boiling Point489 °C at 760 mmHg
  • Molecular Weight285.343
  • Flash Point249.6 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety22-24/25
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 6372-14-1 ((S)-Cbz-Phenylalaninol)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data74

(S)-Cbz-Phenylalaninol Specification

The Z-L-phenylalaninol, with the CAS registry number 6372-14-1, has the systematic name of benzyl [(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate. It is a kind of white powder, and it is insoluble in water. The molecular formula of this chemical is C17H19NO3. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The physical properties of Sodium potassium tartrate are as followings: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.25; (4)ACD/LogD (pH 7.4): 3.25; (5)ACD/BCF (pH 5.5): 174.87; (6)ACD/BCF (pH 7.4): 174.86; (7)ACD/KOC (pH 5.5): 1402.64; (8)ACD/KOC (pH 7.4): 1402.59; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 81.05 cm3; (15)Molar Volume: 242.6 cm3; (16)Polarizability: 32.13×10-24cm3; (17)Surface Tension: 49 dyne/cm; (18)Density: 1.175 g/cm3; (19)Flash Point: 249.6 °C; (20)Enthalpy of Vaporization: 79.55 kJ/mol; (21)Boiling Point: 489 °C at 760 mmHg; (22)Vapour Pressure: 2.23E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N[C@@H](Cc2ccccc2)CO
(2)InChI: InChI=1/C17H19NO3/c19-12-16(11-14-7-3-1-4-8-14)18-17(20)21-13-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,18,20)/t16-/m0/s1
(3)InChIKey: WPOFMMJJCPZPAO-INIZCTEOBG

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