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CAS No.: | 325-89-3 |
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Name: | 3-Amino-3-(4-fluorophenyl)propanoic acid |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C9H10FNO2 |
Molecular Weight: | 183.182 |
Synonyms: | Hydrocinnamicacid, b-amino-p-fluoro- (6CI,8CI);3-Amino-3-(4-fluorophenyl)propionic acid; |
EINECS: | -0 |
Density: | 1.289 g/cm3 |
Melting Point: | 224-228 °C (dec.)(lit.) |
Boiling Point: | 308.8 °C at 760 mmHg |
Flash Point: | 140.6 °C |
Hazard Symbols: | Xi |
Safety: | 22-24/25 |
PSA: | 63.32000 |
LogP: | 2.00050 |
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The 3-Amino-3-(4-fluorophenyl)propanoic acid with its cas register number is 325-89-3. It also can be called as Benzenepropanoic acid, b-amino-4-fluoro- and the Systematic name about this chemical is 3-amino-3-(4-fluorophenyl)propanoic acid. It belongs to the following product categories, such as C9, Carbonyl Compounds, Carboxylic Acids, B-Amino and so on. When you are using it, please not breathe dust and avoid contact with skin and eyes.
Physical properties about 3-Amino-3-(4-fluorophenyl)propanoic acid are: (1)ACD/LogP: 0.96; (2)ACD/LogD (pH 5.5): -1.54; (3)ACD/LogD (pH 7.4): -1.54; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 29.54Å2; (12)Index of Refraction: 1.554; (13)Molar Refractivity: 45.53 cm3; (14)Molar Volume: 142 cm3; (15)Polarizability: 18.05x10-24cm3; (16)Surface Tension: 51.4 dyne/cm; (17)Enthalpy of Vaporization: 58.02 kJ/mol; (18)Vapour Pressure: 0.000287 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C(N)CC(=O)O
(2)InChI: InChI=1/C9H10FNO2/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)
(3)InChIKey: CPGFMWPQXUXQRX-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H10FNO2/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)
(5)Std. InChIKey: CPGFMWPQXUXQRX-UHFFFAOYSA-N