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(R)-4-(tert-Butoxycarbonyl)morpholine-2-carboxylic acid

  • Name (R)-4-(tert-Butoxycarbonyl)morpholine-2-carboxylic acid
  • EINECSN/A
  • CAS No. 884512-77-0
  • Density1.230
  • PSA76.07000
  • LogP0.64480
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC10H17NO5
  • Boiling Point369.473 °C at 760 mmHg
  • Molecular Weight231.249
  • Flash Point177.251 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 884512-77-0 ((R)-4-(tert-Butoxycarbonyl)morpholine-2-carboxylic acid)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data10

(R)-4-(tert-Butoxycarbonyl)morpholine-2-carboxylic acid Specification

The (R)-4-(tert-Butoxycarbonyl)morpholine-2-carboxylic acid, with the cas registry number 884512-77-0, has the systematic name of (2R)-4-tert-butoxycarbonylmorpholine-2-carboxylic acid. The molecular formula of the chemical is C10H17NO5.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 76.07 Å2; (11)Index of Refraction: 1.492; (12)Molar Refractivity: 54.541 cm3; (13)Molar Volume: 187.99 cm3; (14)Polarizability: 21.622×10-24cm3; (15)Surface Tension: 45.997 dyne/cm; (16)Density: 1.23 g/cm3; (17)Flash Point: 177.251 °C; (18)Enthalpy of Vaporization: 67.679 kJ/mol; (19)Boiling Point: 369.473 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCO[C@H](C1)C(=O)O
(2)InChI: InChI=1/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m1/s1
(3)InChIKey: LGWMTRPJZFEWCX-SSDOTTSWBP

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