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L-Tryptophan,N-[(ethenyloxy)carbonyl]-

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  • Name L-Tryptophan,N-[(ethenyloxy)carbonyl]-
  • EINECS254-684-2
  • CAS No. 39897-19-3
  • Density1.35 g/cm3
  • PSA94.91000
  • LogP2.23770
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC14H14N2O4
  • Boiling Point511.5 °C at 760 mmHg
  • Molecular Weight274.276
  • Flash Point263.2 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 39897-19-3 (N-[(vinyloxy)carbonyl]-L-tryptophan)
  • Hazard SymbolsN/A
  • SynonymsN/A

L-Tryptophan,N-[(ethenyloxy)carbonyl]- Specification

The L-Tryptophan,N-[(ethenyloxy)carbonyl]-, with the CAS registry number of 39897-19-3, is also known as N-[(Vinyloxy)carbonyl]-L-tryptophan. Its EINECS registry number is 254-684-2. Its molecular formula is C14H14N2O4 and molecular weight is 274.27196. What's more, its systematic name is (2S)-2-(Ethenoxycarbonylamino)-3-(1H-indol-3-yl)propanoic acid.

Physical properties about the L-Tryptophan,N-[(ethenyloxy)carbonyl]- are: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.12; (5)#H bond acceptors: 6; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 91.42 Å2; (9)Index of Refraction: 1.64; (10)Molar Refractivity: 73.22 cm3; (11)Molar Volume: 203.1 cm3; (12)Surface Tension: 60.8 dyne/cm; (13)Density: 1.35 g/cm3; (14)Flash Point: 263.2 °C; (15)Enthalpy of Vaporization: 82.39 kJ/mol; (16)Boiling Point: 511.5 °C at 760 mmHg; (17)Vapour Pressure: 2.75E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)[C@@H](NC(=O)OC=C)Cc2cnc1ccccc12
(2) InChI: InChI=1/C14H14N2O4/c1-2-20-14(19)16-12(13(17)18)7-9-8-15-11-6-4-3-5-10(9)11/h2-6,8,12,15H,1,7H2,(H,16,19)(H,17,18)/t12-/m0/s1
(3) InChIKey: ZYSDNTTYVOJEHJ-LBPRGKRZBT

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