Name: 3-Amino-3-(4-hydroxyphenyl)propanoic acid
SKU: 6049-54-3

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Basic Information

Molecular Structure:
CAS No.:	6049-54-3
Name:	3-Amino-3-(4-hydroxyphenyl)propanoic acid
Article Data:	7

Formula:	C₉H₁₁NO₃
Molecular Weight:	181.191
Synonyms:	Hydrocinnamicacid, b-amino-p-hydroxy- (6CI,7CI,8CI);b-Amino-4-hydroxybenzenepropanoicacid;b-Tyrosine;3-Amino-3-(4-hydroxyphenyl)propanoic acid;
Density:	1.329 g/cm³
Melting Point:	193-195 °C
Boiling Point:	378.7 °C at 760 mmHg
Flash Point:	182.9 °C
PSA:	83.55000
LogP:	1.56700

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Specification

The CAS register number of 3-Amino-3-(4-hydroxyphenyl)propanoic acid is 6049-54-3. It also can be called as Benzenepropanoic acid, b-amino-4-hydroxy- and the IUPAC name about this chemical is (3R)-3-azaniumyl-3-(4-hydroxyphenyl)propanoate. The molecular formula about this chemical is C₉H₁₁NO₃and molecular weight is 181.19. It belongs to the following product categories, such as Phenyls & Phenyl-Het; Phenyls & Phenyl-Het; B-Amino and so on.

Physical properties about 3-Amino-3-(4-hydroxyphenyl)propanoic acid are: (1)ACD/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: 38.77Å²; (12)Index of Refraction: 1.612; (13)Molar Refractivity: 47.41 cm³; (14)Molar Volume: 136.2 cm³; (15)Polarizability: 18.79x10^-24cm³; (16)Surface Tension: 65.8 dyne/cm; (17)Enthalpy of Vaporization: 66.11 kJ/mol; (18)Boiling Point: 378.7 °C at 760 mmHg; (19)Vapour Pressure: 2.07E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(N)c1ccc(O)cc1
(2)InChI: InChI=1/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)
(3)InChIKey: JYPHNHPXFNEZBR-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)
(5)Std. InChIKey: JYPHNHPXFNEZBR-UHFFFAOYSA-N