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3-Amino-3-(3-phenoxyphenyl)propanoic acid

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Name

3-Amino-3-(3-phenoxyphenyl)propanoic acid

EINECS N/A
CAS No. 202131-32-6 Density 1.234 g/cm3
PSA 72.55000 LogP 3.65370
Solubility N/A Melting Point 210-211 °C (decomp)(Solv: acetone (67-64-1))
Formula C15H15NO3 Boiling Point 421.7 °C at 760 mmHg
Molecular Weight 257.28 Flash Point 208.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 202131-32-6 (Benzenepropanoic acid, β-amino-3-phenoxy-) Hazard Symbols N/A
Synonyms

β-Amino-3-phenoxy-benzenepropanoic acid;3-(3-phenoxyphenyl)-DL-β-alanine;

 

3-Amino-3-(3-phenoxyphenyl)propanoic acid Specification

The Benzenepropanoic acid, β-amino-3-phenoxy- is an organic compound with the formula C15H15NO3. The IUPAC name of this chemical is 3-Amino-3-(3-phenoxyphenyl)propanoic acid. With the CAS registry number 202131-32-6, it is also named as β-Amino-3-phenoxy-benzenepropanoic acid. Besides, its molecular weight is 257.28.

The physical properties of Benzenepropanoic acid, β-amino-3-phenoxy- are: (1)ACD/LogP: 2.90; (2)ACD/LogD (pH 5.5): 0.4; (3)ACD/LogD (pH 7.4): 0.4; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.85; (7)ACD/KOC (pH 7.4): 2.83; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 46.53 Å2; (12)Index of Refraction: 1.607; (13)Molar Refractivity: 71.98 cm3; (14)Molar Volume: 208.3 cm3; (15)Polarizability: 28.53×10-24 cm3; (16)Surface Tension: 53.7 dyne/cm; (17)Density: 1.234 g/cm3; (18)Flash Point: 208.8 °C; (19)Enthalpy of Vaporization: 71.24 kJ/mol; (20)Boiling Point: 421.7 °C at 760 mmHg; (21)Vapour Pressure: 7.29E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)CC(c2cc(Oc1ccccc1)ccc2)[NH3+]
(2)InChI: InChI=1/C15H15NO3/c16-14(10-15(17)18)11-5-4-8-13(9-11)19-12-6-2-1-3-7-12/h1-9,14H,10,16H2,(H,17,18)
(3)InChIKey: DOHHGYXZPWMNKT-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C15H15NO3/c16-14(10-15(17)18)11-5-4-8-13(9-11)19-12-6-2-1-3-7-12/h1-9,14H,10,16H2,(H,17,18)
(5)Std. InChIKey: DOHHGYXZPWMNKT-UHFFFAOYSA-N

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