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2-Acetamidoethyl benzoate

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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 Molecular Structure of 6289-84-5 (2-(acetylamino)ethyl benzoate) Hazard Symbols N/A
Synonyms

2-(acetylamino)ethyl benzoate

Article Data 2

2-Acetamidoethyl benzoate Specification

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

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