3-Acetamido-3-(2-chlorophenyl)propanoic acid supplier

Name
N-ACETYL-2-(2-CHLOROPHENYL)-DL-BETA-ALANINE
EINECS
CAS No. 886363-75-3
Article Data1
CAS DataBase
Density 1.306 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₂ClNO₃
Boiling Point 472.4 °C at 760 mmHg
Molecular Weight 241.674
Flash Point 239.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Acetamido-3-(2-chlorophenyl)propanoic acid; Benzenepropanoic acid, β-(acetylamino)-2-chloro-
PSA 66.40000
LogP 2.38280

3-Acetamido-3-(2-chlorophenyl)propanoic acid Specification

This chemical is called 3-Acetamido-3-(2-chlorophenyl)propanoic acid, and it can also be named as Benzenepropanoic acid, β-(acetylamino)-2-chloro-. With the molecular formula of C₁₁H₁₂ClNO₃, its molecular weight is 241.67. The CAS registry number of this chemical is 886363-75-3.

Other characteristics of the 3-Acetamido-3-(2-chlorophenyl)propanoic acid can be summarised as followings: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 66.4 Å²; (7)Index of Refraction: 1.559; (8)Molar Refractivity: 59.78 cm³; (9)Molar Volume: 185 cm³; (10)Polarizability: 23.7×10^-24cm³; (11)Surface Tension: 50.2 dyne/cm; (12)Density: 1.306 g/cm³; (13)Flash Point: 239.5 °C; (14)Enthalpy of Vaporization: 77.46 kJ/mol; (15)Boiling Point: 472.4 °C at 760 mmHg; (16)Vapour Pressure: 9.98E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1ccccc1C(NC(C)=O)CC(O)=O
2.InChI: InChI=1/C11H12ClNO3/c1-7(14)13-10(6-11(15)16)8-4-2-3-5-9(8)12/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)
3.InChIKey: AJMJRXURHMABKG-UHFFFAOYAM

Product Name

N-ACETYL-2-(2-CHLOROPHENYL)-DL-BETA-ALANINE

3-Acetamido-3-(2-chlorophenyl)propanoic acid Specification

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