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| CAS No.: | 84145-28-8 |
|---|---|
| Name: | (±)-amino(2-fluorophenyl)acetic acid |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C8H8FNO2 |
| Molecular Weight: | 169.155 |
| Synonyms: | amino(2-fluorophenyl)acetic acid;2-amino-2-(2-fluorophenyl)acetic acid;benzeneacetic acid, α-amino-2-fluoro-; |
| EINECS: | 282-253-9 |
| Density: | 1.347 g/cm3 |
| Melting Point: | 290oC (subl.)(lit.) |
| Boiling Point: | 283.1 °C at 760 mmHg |
| Flash Point: | 125 °C |
| Safety: | 22-24/25 |
| PSA: | 63.32000 |
| LogP: | 1.61040 |
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Specification
The Benzeneacetic acid, a-amino-2-fluoro-, with the CAS registry number 84145-28-8 and EINECS registry number 282-253-9, has the systematic name of amino(2-fluorophenyl)acetic acid. It belongs to the following product categories: Pharmacetical; Peptide Synthesis; Phenylglycine Derivatives; Unnatural Amino Acid Derivatives. And the molecular formula of the chemical is C8H8FNO2. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.
The characteristics of Benzeneacetic acid, a-amino-2-fluoro- are as followings: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.51; (4)ACD/LogD (pH 7.4): -1.51; (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: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 40.89 cm3; (15)Molar Volume: 125.5 cm3; (16)Polarizability: 16.21×10-24cm3; (17)Surface Tension: 54.1 dyne/cm; (18)Density: 1.347 g/cm3; (19)Flash Point: 125 °C; (20)Enthalpy of Vaporization: 55.13 kJ/mol; (21)Boiling Point: 283.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00152 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1ccccc1C(N)C(=O)O
(2)InChI: InChI=1/C8H8FNO2/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
(3)InChIKey: CGNMJIBUVDGMIY-UHFFFAOYAY