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CAS No.: | 97731-02-7 |
---|---|
Name: | 2-FLUORO-D-PHENYLALANINE |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C9H10FNO2 |
Molecular Weight: | 183.182 |
Synonyms: | D-2-Fluorophenylalanine;o-Fluoro-D-phenylalanine; |
Density: | 1.293 g/cm3 |
Melting Point: | 209-211℃ |
Boiling Point: | 308.1 °C at 760 mmHg |
Flash Point: | 140.1 °C |
Hazard Symbols: | Xi |
Safety: | 22-24/25 |
PSA: | 63.32000 |
LogP: | 1.48040 |
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The D-Phenylalanine,2-fluoro- is an organic compound with the formula C9H10FNO2. The systematic name of this chemical is 2-fluoro-D-phenylalanine. With the CAS registry number 97731-02-7, it is also named as (2R)-2-Amino-3-(2-fluorophenyl)propanoic acid. The product's categories are Amino Acids; Phenylalanine Analogs and Other Aromatic Alpha Amino Acids; Peptide; a-Amino.
The other characteristics of D-Phenylalanine,2-fluoro- can be summarized as: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 29.54 Å2; (11)Index of Refraction: 1.555; (12)Molar Refractivity: 45.48 cm3; (13)Molar Volume: 141.6 cm3; (14)Polarizability: 18.03×10-24 cm3; (15)Surface Tension: 51.2 dyne/cm; (16)Density: 1.293 g/cm3; (17)Flash Point: 140.1 °C; (18)Enthalpy of Vaporization: 57.94 kJ/mol; (19)Boiling Point: 308.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000301 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
People should not breathe dust and avoid contact with skin and eyes.
People can use the following data to convert to the molecule structure.
1. SMILES:Fc1ccccc1C[C@H](C(=O)O)N
2. InChI:InChI=1/C9H10FNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
3. InChIKey:NYCRCTMDYITATC-MRVPVSSYBY
4. Std. InChI:InChI=1S/C9H10FNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
5. Std. InChIKey:NYCRCTMDYITATC-MRVPVSSYSA-N