Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Benzenepropanoic acid, β-(acetylamino)-4-methyl-

Related Products

Hot Products

Basic Information Post buying leads Suppliers
Name

Benzenepropanoic acid, β-(acetylamino)-4-methyl-

EINECS N/A
CAS No. 886363-72-0 Density 1.168 g/cm3
PSA 66.40000 LogP 2.03780
Solubility N/A Melting Point N/A
Formula C12H15NO3 Boiling Point 459.951 °C at 760 mmHg
Molecular Weight 221.25 Flash Point 231.97 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 886363-72-0 (N-ACETYL-2-(P-TOLYL)-DL-BETA-ALANINE) Hazard Symbols N/A
Synonyms

3-Acetamido-3-(4-methylphenyl)propanoic acid;N-Acetyl-2-(p-tolyl)-DL-β-alanine;

 

Benzenepropanoic acid, β-(acetylamino)-4-methyl- Specification

This chemical is called Benzenepropanoic acid, β-(acetylamino)-4-methyl-, and its systematic name is 3-Acetamido-3-(4-methylphenyl)propanoic acid. With the molecular formula of C12H15NO3, its molecular weight is 221.25. The CAS registry number of this chemical is 886363-72-0.

Other characteristics of the Benzenepropanoic acid, β-(acetylamino)-4-methyl- can be summarised as followings: (1)ACD/LogP: 0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 66.4 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 59.718 cm3; (15)Molar Volume: 189.356 cm3; (16)Polarizability: 23.674×10-24cm3; (17)Surface Tension: 46.454 dyne/cm; (18)Density: 1.168 g/cm3; (19)Flash Point: 231.97 °C; (20)Enthalpy of Vaporization: 75.921 kJ/mol; (21)Boiling Point: 459.951 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: OC(=O)CC(NC(C)=O)c1ccc(C)cc1
2.InChI: InChI=1/C12H15NO3/c1-8-3-5-10(6-4-8)11(7-12(15)16)13-9(2)14/h3-6,11H,7H2,1-2H3,(H,13,14)(H,15,16)
3.InChIKey: CZHBKBNENRJYDU-UHFFFAOYAW

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 886363-72-0