Product Name

  • Name

    CBZ-ASP(OBZL)-OBZL

  • EINECS
  • CAS No. 5241-60-1
  • Article Data8
  • CAS DataBase
  • Density 1.234 g/cm3
  • Solubility
  • Melting Point
  • Formula C26H25NO6
  • Boiling Point 611.7 °C at 760mmHg
  • Molecular Weight 447.488
  • Flash Point 323.7 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 5241-60-1 (CBZ-ASP(OBZL)-OBZL)
  • Hazard Symbols
  • Synonyms Asparticacid, N-carboxy-, tribenzyl ester (6CI,7CI);Aspartic acid, N-carboxy-, tribenzylester, L- (8CI);NSC 118539;
  • PSA 90.93000
  • LogP 4.54920

CBZ-ASP(OBZL)-OBZL Specification

The CBZ-ASP(OBZL)-OBZL is an organic compound with the formula C26H25NO6. The systematic name of this chemical is dibenzyl N-[(benzyloxy)carbonyl]aspartate. With the CAS registry number 5241-60-1, it is also named as 2-(benzyloxycarbonylamino)succinic acid bis(benzyl) ester. In addition, this chemical should be store at 0-5 °C.

The other characteristics of CBZ-ASP(OBZL)-OBZL can be summarized as: (1)ACD/LogP: 6.11; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.11; (4)ACD/LogD (pH 7.4): 6.11; (5)ACD/BCF (pH 5.5): 26061.47; (6)ACD/BCF (pH 7.4): 26035.62; (7)ACD/KOC (pH 5.5): 50414.52; (8)ACD/KOC (pH 7.4): 50364.51; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 82.14 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 121.45 cm3; (15)Molar Volume: 362.3 cm3; (16)Polarizability: 48.14×10-24 cm3; (17)Surface Tension: 50.6 dyne/cm; (18)Density: 1.234 g/cm3; (19)Flash Point: 323.7 °C; (20)Enthalpy of Vaporization: 90.81 kJ/mol; (21)Boiling Point: 611.7 °C at 760 mmHg; (22)Vapour Pressure: 6.7E-15 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(OCc1ccccc1)CC(C(=O)OCc2ccccc2)NC(=O)OCc3ccccc3
2. InChI:InChI=1/C26H25NO6/c28-24(31-17-20-10-4-1-5-11-20)16-23(25(29)32-18-21-12-6-2-7-13-21)27-26(30)33-19-22-14-8-3-9-15-22/h1-15,23H,16-19H2,(H,27,30)
3. InChIKey:ZPVDKMKHRJFPMC-UHFFFAOYAG
4. Std. InChI:InChI=1S/C26H25NO6/c28-24(31-17-20-10-4-1-5-11-20)16-23(25(29)32-18-21-12-6-2-7-13-21)27-26(30)33-19-22-14-8-3-9-15-22/h1-15,23H,16-19H2,(H,27,30) 
5. Std. InChIKey:ZPVDKMKHRJFPMC-UHFFFAOYSA-N

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