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(R)-(-)-2-(2,5-Dihydrophenyl)glycine

  • Name (R)-(-)-2-(2,5-Dihydrophenyl)glycine
  • EINECS247-999-1
  • CAS No. 26774-88-9
  • Density1.226 g/cm3
  • PSA63.32000
  • LogP1.37500
  • SolubilityN/A
  • Melting Point280 °C (dec.)(lit.)
  • FormulaC8H11NO2
  • Boiling Point279.4 °C at 760 mmHg
  • Molecular Weight153.181
  • Flash Point122.8 °C
  • Transport InformationN/A
  • AppearanceWhite powder
  • Safety24/25
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 26774-88-9 ((R)-(-)-2-(2,5-Dihydrophenyl)glycine)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data2

(R)-(-)-2-(2,5-Dihydrophenyl)glycine Specification

The (R)-(-)-2-(2,5-Dihydrophenyl)glycine, with the CAS registry number 26774-88-9 and EINECS registry number 247-999-1, has the systematic name of (2R)-amino(cyclohexa-1,4-dien-1-yl)ethanoic acid. It is a kind of white powder, and belongs to the product category of Pharmaceutical Intermediates. And the molecular formula of the chemical is C8H11NO2. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.

The characteristics of (R)-(-)-2-(2,5-Dihydrophenyl)glycine are as followings: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.35; (4)ACD/LogD (pH 7.4): -1.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 41.2 cm3; (15)Molar Volume: 124.9 cm3; (16)Polarizability: 16.33×10-24cm3; (17)Surface Tension: 56.2 dyne/cm; (18)Density: 1.226 g/cm3; (19)Flash Point: 122.8 °C; (20)Enthalpy of Vaporization: 57.02 kJ/mol; (21)Boiling Point: 279.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00107 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)[C@H](N)/C1=C/C\C=C/C1
(2)InChI: InChI=1/C8H11NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-2,5,7H,3-4,9H2,(H,10,11)/t7-/m1/s1
(3)InChIKey: JBJJTCGQCRGNOL-SSDOTTSWBT

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