3-(3-AMINOPHENYL)PROPIONIC ACID

The CAS register number of 3-(3-Aminophenyl)propanoic acid is 1664-54-6. It also can be called as Benzenepropanoic acid, 3-amino- and the IUPAC name about this chemical is 3-(3-aminophenyl)propanoic acid. The molecular formula about this chemical is C₉H₁₁NO₂ and the molecular weight is 165.19. It belongs to the Aromatic Propionic Acids.

Physical properties about 3-(3-Aminophenyl)propanoic acid are: (1)ACD/LogP: 0.91; (2)ACD/LogD (pH 5.5): -1.59; (3)ACD/LogD (pH 7.4): -1.59; (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: 29.54Ų; (12)Index of Refraction: 1.574; (13)Molar Refractivity: 45.53 cm³; (14)Molar Volume: 137.8 cm³; (15)Polarizability: 18.05x10^-24cm³; (16)Surface Tension: 53.7 dyne/cm; (17)Enthalpy of Vaporization: 57.88 kJ/mol; (18)Boiling Point: 307.5 °C at 760 mmHg; (19)Vapour Pressure: 0.000313 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-nitro-trans-cinnamic acid. This reaction will need reagent H₂, AcOH/MeOH, catalyst 10percent Pd/C. The yield is about 84%.

Uses of 3-(3-Aminophenyl)propanoic acid: it can be used to produce 3-(3-amino-2,4,6-triiodo-phenyl)-propionic acid at temperature of 75 ℃. This reaction will need reagent ICl, concd. HCl and solvent H₂O with reaction time of 3 hours. The yield is about 64%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(N)c1ccccc1
(2)InChI: InChI=1/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)
(3)InChIKey: UJOYFRCOTPUKAK-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)
(5)Std. InChIKey: UJOYFRCOTPUKAK-UHFFFAOYSA-N