Product Name

  • Name

    AC-MET-ALPHA-NAPHTHYL ESTER

  • EINECS
  • CAS No. 69975-69-5
  • Density 1.202 g/cm3
  • Solubility
  • Melting Point
  • Formula C17H19NO3S
  • Boiling Point 569.1 °C at 760 mmHg
  • Molecular Weight 317.4
  • Flash Point 298 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 69975-69-5 (AC-MET-ALPHA-NAPHTHYL ESTER)
  • Hazard Symbols
  • Synonyms N-Acetyl-L-methionine α-naphthyl ester;
  • PSA 80.70000
  • LogP 3.39390

L-Methionine,N-acetyl-, 1-naphthalenyl ester Specification

The L-Methionine,N-acetyl-, 1-naphthalenyl ester, with the CAS registry number of 69975-69-5, is also known as N-Acetyl-L-methionine α-naphthyl ester. Its molecular formula is C17H19NO3S and molecular weight is 317.4. What's more, its IUPAC name is Naphthalen-1-yl (2S)-2-acetamido-4-methylsulfanylbutanoate.

Physical properties about the L-Methionine,N-acetyl-, 1-naphthalenyl ester are: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 2.88; (5)ACD/BCF (pH 5.5): 90.66; (6)ACD/BCF (pH 7.4): 90.66; (7)ACD/KOC (pH 5.5): 876.42; (8)ACD/KOC (pH 7.4): 876.42; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 71.91 Å2; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 90.18 cm3; (15)Molar Volume: 263.9 cm3; (16)Surface Tension: 47.3 dyne/cm; (17)Density: 1.202 g/cm3; (18)Flash Point: 298 °C; (19)Enthalpy of Vaporization: 85.39 kJ/mol; (20)Boiling Point: 569.1 °C at 760 mmHg; (21)Vapour Pressure: 5.79E-13 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N[C@H](C(=O)Oc2cccc1ccccc12)CCSC)C
(2) InChI: InChI=1/C17H19NO3S/c1-12(19)18-15(10-11-22-2)17(20)21-16-9-5-7-13-6-3-4-8-14(13)16/h3-9,15H,10-11H2,1-2H3,(H,18,19)/t15-/m0/s1
(3) InChIKey: FGHRSVXVKOEYHM-HNNXBMFYBT

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