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3-Amino-3-(2-hydroxyphenyl)propionic acid

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Name

3-Amino-3-(2-hydroxyphenyl)propionic acid

EINECS N/A
CAS No. 5678-46-6 Density 1.329 g/cm3
PSA 83.55000 LogP 1.56700
Solubility N/A Melting Point N/A
Formula C9H11NO3 Boiling Point 372.4 °C at 760 mmHg
Molecular Weight 181.191 Flash Point 179 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5678-46-6 (3-Amino-3-(2-hydroxyphenyl)propionic acid) Hazard Symbols N/A
Synonyms

Hydrocinnamicacid, b-amino-o-hydroxy- (7CI,8CI);

Article Data 7

3-Amino-3-(2-hydroxyphenyl)propionic acid Specification

The 3-Amino-3-(2-hydroxyphenyl)propionic acid is an organic compound with the formula C9H11NO3. The systematic name of this chemical is 3-amino-3-(2-hydroxyphenyl)propanoic acid. With the CAS registry number 5678-46-6, it is also named as benzenepropanoic acid, β-amino-2-hydroxy-. The product's category is B-Amino.

Physical properties about 3-Amino-3-(2-hydroxyphenyl)propionic acid are: (1)CD/LogP: 0.18; (2)ACD/LogD (pH 5.5): -2.33; (3)ACD/LogD (pH 7.4): -2.33; (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: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 38.77 Å2; (12)Index of Refraction: 1.612; (13)Molar Refractivity: 47.41 cm3; (14)Molar Volume: 136.2 cm3; (15)Polarizability: 18.79×10-24cm3; (16)Surface Tension: 65.8 dyne/cm; (17)Density: 1.329 g/cm3; (18)Flash Point: 179 °C; (19)Enthalpy of Vaporization: 65.36 kJ/mol; (20)Boiling Point: 372.4 °C at 760 mmHg; (21)Vapour Pressure: 3.33E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(N)c1ccccc1O
(2)InChI: InChI=1/C9H11NO3/c10-7(5-9(12)13)6-3-1-2-4-8(6)11/h1-4,7,11H,5,10H2,(H,12,13)
(3)InChIKey: BMUFWTKVAWBABX-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C9H11NO3/c10-7(5-9(12)13)6-3-1-2-4-8(6)11/h1-4,7,11H,5,10H2,(H,12,13)
(5)Std. InChIKey: BMUFWTKVAWBABX-UHFFFAOYSA-N

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