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CAS No.: | 122839-52-5 |
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Name: | D-4-Fluorophenylalanine hydrochloride |
Molecular Structure: | |
Formula: | C9H10 FNO2.ClH |
Molecular Weight: | 219.643 |
Synonyms: | 4-Fluoro-D-Phe-OH.HCl;H-D-Phe(4-F)-OH·HCl; |
Density: | 1.293g/cm3 |
Melting Point: | 245 °C (dec.)(lit.) |
Boiling Point: | 343.7 °C at 760 mmHg |
Flash Point: | 161.7 °C |
Hazard Symbols: | T |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 63.32000 |
LogP: | 2.28240 |
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The D-Phenylalanine,4-fluoro-, hydrochloride (9CI), with CAS registry number 122839-52-5, belongs to the following product categories: (1)Phenylalanine [Phe, F]; (2)Unusual Amino Acids; (3)Amino hydrochloride; (4)Peptide Synthesis; (5)Phenylalanine Derivatives; (6)Unnatural Amino Acid Derivatives. It has the systematic name of 4-fluoro-D-phenylalanine hydrochloride.
Physical properties of D-Phenylalanine,4-fluoro-, hydrochloride (9CI): (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 29.54 Å2; (7)Enthalpy of Vaporization: 62.02 kJ/mol; (8)Vapour Pressure: 2.64E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C[C@H](C(=O)O)N.Cl
(2)InChI: InChI=1/C9H10FNO2.ClH/c10-7-3-1-6(2-4-7)5-8(11)9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H/t8-;/m1./s1
(3)InChIKey: ZDECBCKSULAIGP-DDWIOCJRBZ
(4)Std. InChI: InChI=1S/C9H10FNO2.ClH/c10-7-3-1-6(2-4-7)5-8(11)9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H/t8-;/m1./s1
(5)Std. InChIKey: ZDECBCKSULAIGP-DDWIOCJRSA-N