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Name |
2-Acetamidoethyl benzoate |
EINECS | N/A |
CAS No. | 6289-84-5 | Density | 1.133 g/cm3 |
PSA | 55.40000 | LogP | 1.37040 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H13NO3 | Boiling Point | 405.7 °C at 760 mmHg |
Molecular Weight | 207.229 | Flash Point | 199.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(acetylamino)ethyl benzoate |
Article Data | 2 |
This chemical is called 2-Acetamidoethyl benzoate, and its CAS registry number is 6289-84-5. With the molecular formula of C11H13NO3, its molecular weight is 207.23.
Other characteristics of the 2-Acetamidoethyl benzoate can be summarised as followings: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 3.66; (6)ACD/BCF (pH 7.4): 3.66; (7)ACD/KOC (pH 5.5): 88.18; (8)ACD/KOC (pH 7.4): 88.18; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 55.54 cm3; (15)Molar Volume: 182.7 cm3; (16)Polarizability: 22.02×10-24cm3; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.133 g/cm3; (19)Flash Point: 199.1 °C; (20)Enthalpy of Vaporization: 65.73 kJ/mol; (21)Boiling Point: 405.7 °C at 760 mmHg; (22)Vapour Pressure: 8.61E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCCNC(=O)C)c1ccccc1
2.InChI: InChI=1/C11H13NO3/c1-9(13)12-7-8-15-11(14)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,13)
3.InChIKey: YDPYYHCLYBOTMW-UHFFFAOYAV