3-Amino-3-(3-hydroxy-4-methoxyphenyl)propanoic acid supplier

Name
3-(3-HYDROXY-4-METHOXYPHENYL)-DL-BETA-ALANINE
EINECS
CAS No. 129042-81-5
Article Data2
CAS DataBase
Density 1.318 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₃NO₄
Boiling Point 421.963 °C at 760 mmHg
Molecular Weight 211.21
Flash Point 208.996 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(3-Hydroxy-4-methoxyphenyl)-DL-beta-alanine;
PSA 92.78000
LogP 1.57560

3-Amino-3-(3-hydroxy-4-methoxyphenyl)propanoic acid Specification

The Benzenepropanoic acid, b-amino-3-hydroxy-4-methoxy-, with CAS registry number 129042-81-5, has the systematic name of 3-amino-3-(3-hydroxy-4-methoxy-phenyl)propanoic acid. Besides this, it is also called 3-(3-Hydroxy-4-methoxyphenyl)-dl-beta-alanine. And the chemical formula of this chemical is C₁₀H₁₃NO₄.

Physical properties of Benzenepropanoic acid, b-amino-3-hydroxy-4-methoxy-: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 92.78 Å²; (10)Index of Refraction: 1.59; (11)Molar Refractivity: 54.09 cm³; (12)Molar Volume: 160.2 cm³; (13)Polarizability: 21.44×10^-24cm³; (14)Surface Tension: 59.3 dyne/cm; (15)Density: 1.318 g/cm³; (16)Flash Point: 209 °C; (17)Enthalpy of Vaporization: 71.27 kJ/mol; (18)Boiling Point: 422 °C at 760 mmHg; (19)Vapour Pressure: 7.12E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-hydroxy-4-methoxy-benzaldehyde and malonic acid. This reaction will need reagent NH₄OAc and solvent butan-1-ol. The yield is about 74%.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1O)C(CC(=O)O)N
(2)InChI: InChI=1/C10H13NO4/c1-15-9-3-2-6(4-8(9)12)7(11)5-10(13)14/h2-4,7,12H,5,11H2,1H3,(H,13,14)
(3)InChIKey: MVPHRWQFARWHIX-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C10H13NO4/c1-15-9-3-2-6(4-8(9)12)7(11)5-10(13)14/h2-4,7,12H,5,11H2,1H3,(H,13,14)
(5)Std. InChIKey: MVPHRWQFARWHIX-UHFFFAOYSA-N

Product Name

3-(3-HYDROXY-4-METHOXYPHENYL)-DL-BETA-ALANINE

3-Amino-3-(3-hydroxy-4-methoxyphenyl)propanoic acid Specification

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