Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Amino-3-(3-fluorophenyl)propanoic acid |
EINECS | N/A |
CAS No. | 117391-51-2 | Density | 1.29 g/cm3 |
PSA | 63.32000 | LogP | 2.00050 |
Solubility | N/A | Melting Point |
210-212 °C |
Formula | C9H10FNO2 | Boiling Point | 305.691 °C at 760 mmHg |
Molecular Weight | 183.182 | Flash Point | 138.677 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-Amino-3-(3-fluorophenyl)propionicacid;3-Fluorophenyl-beta-DL-alanine;3-(3-fluorophenyl)-beta-alanine;Propanoic acid, 3-amino-3-(3-fluorophenyl)-; |
Article Data | 10 |
The 3-Amino-3-(3-fluorophenyl)propanoic acid with the cas number 117391-51-2, is also called 3-Fluorophenyl-beta-DL-alanine. Its molecular formula is C9H10FNO2. This chemical belongs to the following product categories: (1)API intermediates; (2)B-Amino.
The properties of the chemical are: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.54; (4)ACD/LogD (pH 7.4): -1.54; (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: 4; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 45.53 cm3; (15)Molar Volume: 142 cm3; (16)Polarizability: 18.05×10-24cm3; (17)Surface Tension: 51.4 dyne/cm; (18)Enthalpy of Vaporization: 57.67 kJ/mol ; (19)Vapour Pressure: 0.000353 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: (1)Irritating to eyes, respiratory system and skin; (2)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; (3)Wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(ccc1)C(N)CC(=O)O
(2)InChI: InChI=1/C9H10FNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)