Name: 3-AMINO-3-(3-HYDROXY-PHENYL)-PROPIONIC ACID
SKU: 26049-12-7

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Basic Information

Molecular Structure:
CAS No.:	26049-12-7
Name:	3-AMINO-3-(3-HYDROXY-PHENYL)-PROPIONIC ACID
Article Data:	6

Formula:	C₉H₁₁NO₃
Molecular Weight:	181.191
Synonyms:	Hydrocinnamicacid, β-amino-m-hydroxy- (6CI);
Density:	1.329 g/cm³
Melting Point:	222-223°C
Boiling Point:	394 °C at 760 mmHg
Flash Point:	192.1 °C
Hazard Symbols:	Xi
PSA:	83.55000
LogP:	1.56700

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Specification

The Benzenepropanoic acid, β-amino-3-hydroxy-, with the CAS registry number 26049-12-7, is also known as 3-Amino-3-(3-hydroxyphenyl)propanoic acid. It belongs to the product category of B-Amino. This chemical's molecular formula is C₉H₁₁NO₃and molecular weight is 181.19. What's more, its IUPAC name is 3-Amino-3-(3-hydroxyphenyl)propanoic acid.

Physical properties about Benzenepropanoic acid, β-amino-3-hydroxy are: (1)ACD/LogP: 0.18; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.33; (4)ACD/LogD (pH 7.4): -2.33; (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: 4 #H; (10)bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 47.41 cm³; (15)Molar Volume: 136.2 cm³; (16)Polarizability: 18.79×10^-24cm³; (17)Surface Tension: 65.8 dyne/cm; (18)Density: 1.329 g/cm³; (19)Flash Point: 192.1 °C; (20)Enthalpy of Vaporization: 67.92 kJ/mol; (21)Boiling Point: 394 °C at 760 mmHg; (22)Vapour Pressure: 6.48E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CC(N)c1cc(O)ccc1
(2) InChI: InChI=1/C9H11NO3/c10-8(5-9(12)13)6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)
(3) InChIKey: NYHNEKBZZXSUNO-UHFFFAOYAJ