Basic Information | Post buying leads | Suppliers |
Name |
Benzenepropanoic acid, β-(acetylamino)-4-bromo- |
EINECS | N/A |
CAS No. | 886363-73-1 | Density | 1.511 g/cm3 |
PSA | 66.40000 | LogP | 2.49190 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H12BrNO3 | Boiling Point | 512.7 °C at 760 mmHg |
Molecular Weight | 286.12 | Flash Point | 263.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N-ACETYL-2-(4-BROMOPHENYL)-DL-BETA-ALANINE |
This chemical is called Benzenepropanoic acid, β-(acetylamino)-4-bromo-, and its systematic name is 3-Acetamido-3-(4-bromophenyl)propanoic acid. With the molecular formula of C11H12BrNO3, its molecular weight is 286.12. The CAS registry number of this chemical is 886363-73-1.
Other characteristics of the Benzenepropanoic acid, β-(acetylamino)-4-bromo- can be summarised as followings: (1)ACD/LogP: 1.34; (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: 1.575; (8)Molar Refractivity: 62.58 cm3; (9)Molar Volume: 189.2 cm3; (10)Polarizability: 24.8×10-24cm3; (11)Surface Tension: 51.5 dyne/cm; (12)Density: 1.511 g/cm3; (13)Flash Point: 263.9 °C; (14)Enthalpy of Vaporization: 82.54 kJ/mol; (15)Boiling Point: 512.7 °C at 760 mmHg; (16)Vapour Pressure: 2.45E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1ccc(cc1)C(NC(C)=O)CC(O)=O
2.InChI: InChI=1/C11H12BrNO3/c1-7(14)13-10(6-11(15)16)8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)
3.InChIKey: PZUQNQCQELEZKE-UHFFFAOYAI