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CAS No.: | 264903-53-9 |
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Name: | D-Styrylalanine |
Molecular Structure: | |
Formula: | C11H13NO2 |
Molecular Weight: | 191.23 |
Synonyms: | (R)-2-Amino-5-phenylpent-4-enoic acid; (R,E)-2-Amino-5-phenylpent-4-enoic acid; |
Density: | 1.179 g/cm3 |
Boiling Point: | 399.4 °C at 760 mmHg |
Flash Point: | 195.4 °C |
PSA: | 63.32000 |
LogP: | 2.20210 |
The D-Styrylalanine is an organic compound with the formula C11H13NO2. The IUPAC name of this chemical is (2R)-2-[[(E)-2-phenylethenyl]amino]propanoic acid. With the CAS registry number 264903-53-9, it is also named as (E,2R)-2-Amino-5-phenylpent-4-enoic acid. The product's categories are Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids; a-Amino. In addition, this chemical should be stored at the temperature of -15 °C.
The other characteristics of D-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: 37.3 2; (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](C/C=C/c1ccccc1)[NH3+]
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-/m1/s1
3. InChIKey:MCGSKGBMVBECNS-LJJSCBMDBZ
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-/m1/s1
5. Std. InChIKey:MCGSKGBMVBECNS-LJJSCBMDSA-N