Basic information
- Name:
L-4-Fluorophenylalanine
- CAS No.:
1132-68-9
- Molecular Structure:
- Formula:
- C9H10FNO2
- Molecular Weight:
- 183.18
- Synonyms:
- 4-Fluoro-L-Phenylalanine;L-4-F-Phe-OH;4-Fluoro-Phe-OH;(S)-a-Methylbenzylamine;L-4-Fluoro-phenylalanine;H-Phe(4-F)-OH;(S)-4-Fluorophenylalanine;4-Fluoro-L-phenylalanine;L-Phenylalanine, 4-fluoro-;para-fluoro-l-phenylalanine;
- Density:
- 1.293 g/cm3
- Boiling Point:
- 313.3 °C at 760 mmHg
- Flash Point:
- 143.3 °C
- Appearance:
- white to off-white powder
- Safety Description:
- 23-24/25 Details
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Specification
The L-4-Fluorophenylalanine, with the CAS registry number 1132-68-9, has the systematic name of 4-fluoro-L-phenylalanine. And the molecular formula of this chemical is C9H10FNO2. It is a kind of white to off-white powder, and belongs to the following proudct categories: Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids; Phenylalanine [Phe, F]; Unusual Amino Acids; Amino hydrochloride; α-amino; Non-natural amino acids.
The physical properties of L-4-Fluorophenylalanine are as following: (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: 18.03×10-24cm3; (15)Surface Tension: 51.2 dyne/cm; (16)Density: 1.293 g/cm3; (17)Flash Point: 143.3 °C; (18)Enthalpy of Vaporization: 58.53 kJ/mol; (19)Boiling Point: 313.3 °C at 760 mmHg; (20)Vapour Pressure: 0.000214 mmHg at 25°C.
You should be cautious while dealing with this chemical: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer); Avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C[C@@H](C(=O)O)N
(2)InChI: InChI=1/C9H10FNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
(3)InChIKey: XWHHYOYVRVGJJY-QMMMGPOBBE