Product Name

  • Name

    Z-Asn-OtBu

  • EINECS
  • CAS No. 25456-85-3
  • Article Data3
  • CAS DataBase
  • Density 1.188 g/cm3
  • Solubility
  • Melting Point
  • Formula C16H22N2O5
  • Boiling Point 542 °C at 760 mmHg
  • Molecular Weight 322.361
  • Flash Point 281.6 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 25456-85-3 (Z-Asn-OtBu)
  • Hazard Symbols
  • Synonyms Tert-butyl N2-[(benzyloxy)carbonyl]-L-asparaginate;Z-L-asparagine tert-butyl ester;Tert-butyl (2S)-3-carbamoyl-2-[(phenylmethoxy)carbonylamino]propanoate;
  • PSA 107.72000
  • LogP 2.58970

Z-Asn-OtBu Specification

This chemical is called Z-Asn-OtBu, and it can also be named as Z-L-asparagine tert-butyl ester. With the molecular formula of C16H22N2O5, its molecular weight is 322.36. The CAS registry number of this chemical is 25456-85-3, and its systematic name is Tert-butyl N2-[(benzyloxy)carbonyl]-L-asparaginate. Additionally, this chemical should be stored at the temperature of -15°C. 

Other characteristics of the Z-Asn-OtBu can be summarised as follows: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 2.65; (5)ACD/BCF (pH 5.5): 61.19; (6)ACD/BCF (pH 7.4): 61.15; (7)ACD/KOC (pH 5.5): 661.52; (8)ACD/KOC (pH 7.4): 661.03; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 76.15 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 83.49 cm3; (15)Molar Volume: 271.3 cm3; (16)Polarizability: 33.1×10-24 cm3; (17)Surface Tension: 45.8 dyne/cm; (18)Density: 1.188 g/cm3; (19)Flash Point: 281.6 °C; (20)Enthalpy of Vaporization: 82 kJ/mol; (21)Boiling Point: 542 °C at 760 mmHg; (22)Vapour Pressure: 8.23E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(C)(C)C)[C@@H](NC(=O)OCc1ccccc1)CC(=O)N
2.InChI: InChI=1/C16H22N2O5/c1-16(2,3)23-14(20)12(9-13(17)19)18-15(21)22-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H2,17,19)(H,18,21)/t12-/m0/s1
3.InChIKey: CHLOOSRSKMKBDP-LBPRGKRZBG

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