3-Amino-3-(2-chlorophenyl)propionic acid supplier

Name
3-AMINO-3-(2-CHLORO-PHENYL)-PROPIONIC ACID
EINECS -0
CAS No. 68208-20-8
Article Data9
CAS DataBase
Density 1.333 g/cm³
Solubility
Melting Point 228 °C
Formula C₉H₁₀ClNO₂
Boiling Point 336.5 °C at 760 mmHg
Molecular Weight 199.637
Flash Point 157.3 °C
Transport Information
Appearance solid
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms DL-beta-(2-Chlorophenyl)alanine;(3R)-3-Azaniumyl-3-(2-chlorophenyl)propanoate;(3S)-3-Azaniumyl-3-(2-chlorophenyl)propanoate;
PSA 63.32000
LogP 2.51480

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

The IUPAC name of 3-Amino-3-(2-chlorophenyl)propionic acid is 3-amino-3-(2-chlorophenyl)propanoic acid. With the CAS registry number 68208-20-8, it is also named as DL-beta-(2-Chlorophenyl)alanine. The product's categories are C9; Carbonyl Compounds; Carboxylic Acids; B-Amino. Besides, it is solid, which should be stored in sealed containers in a cool, dry place away from oxidizing agents. When you are using this chemical, please avoid contact with skin and eyes. In addition, its molecular formula is C₉H₁₀ClNO₂ and molecular weight is 199.63.

The other characteristics of 3-Amino-3-(2-chlorophenyl)propionic acid can be summarized as: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 29.54 Å²; (11)Index of Refraction: 1.588; (12)Molar Refractivity: 50.43 cm³; (13)Molar Volume: 149.7 cm³; (14)Polarizability: 19.99×10^-24cm³; (15)Surface Tension: 55.6 dyne/cm; (16)Density: 1.333 g/cm³; (17)Flash Point: 157.3 °C; (18)Melting Point: 228 °C; (19)Enthalpy of Vaporization: 61.18 kJ/mol; (20)Boiling Point: 336.5 °C at 760 mmHg; (21)Vapour Pressure: 4.39E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1ccccc1C(N)CC(=O)O
(2)InChI: InChI=1/C9H10ClNO2/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)
(3)InChIKey: NXXFYRJVRISCCP-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H10ClNO2/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)
(5)Std. InChIKey: NXXFYRJVRISCCP-UHFFFAOYSA-N

Product Name

3-AMINO-3-(2-CHLORO-PHENYL)-PROPIONIC ACID

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

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