Product Name

  • Name

    L-Styrylalanine

  • EINECS
  • CAS No. 267650-37-3
  • Article Data9
  • CAS DataBase
  • Density 1.179 g/cm3
  • Solubility
  • Melting Point
  • Formula C11H13NO2
  • Boiling Point 399.4 °C at 760 mmHg
  • Molecular Weight 191.23
  • Flash Point 195.4 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 267650-37-3 (L-Styrylalanine)
  • Hazard Symbols
  • Synonyms L-STYRYLALANINE;H-ALA(STYR)-OH;H-ALA(STYRYL)-OH;3-STYRYL-L-ALANINE;RARECHEM BK PT 0177;(E,2S)-2-Amino-5-phenylpent-4-enoic acid;L-Styryl-Ala-OH;L-Strylalanine
  • PSA 63.32000
  • LogP 2.20210

L-Styrylalanine Specification

The L-Styrylalanine is an organic compound with the formula C11H13NO2. The IUPAC name of this chemical is (E,2S)-2-amino-5-phenylpent-4-enoic acid. With the CAS registry number 267650-37-3, it is also named as L-Styryl-Ala-OH. The product's categories are Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids; Amino Acid Derivatives; a-Amino. In addition, this cehmical should be stored at the temperature of -15 °C.

The other characteristics of L-Styrylalanine can be summarized as: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.82; (4)ACD/LogD (pH 7.4): -0.82; (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: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 56.46 cm3; (15)Molar Volume: 162.1 cm3; (16)Polarizability: 22.38×10-24 cm3; (17)Surface Tension: 53.3 dyne/cm; (18)Density: 1.179 g/cm3; (19)Flash Point: 195.4 °C; (20)Enthalpy of Vaporization: 68.56 kJ/mol; (21)Boiling Point: 399.4 °C at 760 mmHg; (22)Vapour Pressure: 4.26E-07 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(O)[C@@H](N)C/C=C/c1ccccc1
2. InChI:InChI=1/C11H13NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-7,10H,8,12H2,(H,13,14)/b7-4+/t10-/m0/s1
3. InChIKey:MCGSKGBMVBECNS-QBBOHKLWBS
4. Std. InChI:InChI=1S/C11H13NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-7,10H,8,12H2,(H,13,14)/b7-4+/t10-/m0/s1
5. Std. InChIKey:MCGSKGBMVBECNS-QBBOHKLWSA-N

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