Product Name

  • Name

    L-4-Cyanophenylalanine

  • EINECS
  • CAS No. 167479-78-9
  • Article Data4
  • CAS DataBase
  • Density 1.28 g/cm3
  • Solubility Slightly soluble in water.
  • Melting Point -243oC
  • Formula C10H10N2O2
  • Boiling Point 394.1 °C at 760 mmHg
  • Molecular Weight 190.202
  • Flash Point 192.1 °C
  • Transport Information
  • Appearance White powder
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 167479-78-9 (L-4-Cyanophenylalanine)
  • Hazard Symbols
  • Synonyms (S)-2-Amino-3-(4-cyanophenyl)propanoicacid;L-4-Cyanophenylalanine;4-cyano-L-phenylalanine;(2S)-2-amino-3-(4-cyanophenyl)propanoic acid;4-Cyan-L-phenylalanin;4-Cyano-L-phenylalanine;L-phenylalanine, 4-cyano-;
  • PSA 87.11000
  • LogP 1.21298

L-4-Cyanophenylalanine Standards and Recommendations

Purity of L-4-Cyanophenylalanine (167479-78-9): 98% min

L-4-Cyanophenylalanine Specification

The L-4-Cyanophenylalanine, with the CAS registry number 167479-78-9, has the systematic name of 4-cyano-L-phenylalanine. It belongs to the following product categories: Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids; Pharmacetical; Amino Acid Derivatives; α-amino. And the molecular formula of this chemical is C10H10N2O2. What's more, it should be stored at -15°C.

The physical properties of L-4-Cyanophenylalanine are as following: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.95; (4)ACD/LogD (pH 7.4): -1.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 53.33 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 50.45 cm3; (15)Molar Volume: 148.3 cm3; (16)Polarizability: 20×10-24cm3; (17)Surface Tension: 65.1 dyne/cm; (18)Density: 1.28 g/cm3; (19)Flash Point: 192.1 °C; (20)Enthalpy of Vaporization: 67.93 kJ/mol; (21)Boiling Point: 394.1 °C at 760 mmHg; (22)Vapour Pressure: 6.43E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](N)Cc1ccc(C#N)cc1
(2)InChI: InChI=1/C10H10N2O2/c11-6-8-3-1-7(2-4-8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1
(3)InChIKey: KWIPUXXIFQQMKN-VIFPVBQEBE

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