2-Acetamidoethyl benzoate supplier

Name
2-(acetylamino)ethyl benzoate
EINECS
CAS No. 6289-84-5
Article Data2
CAS DataBase
Density 1.133 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₃NO₃
Boiling Point 405.7 °C at 760 mmHg
Molecular Weight 207.229
Flash Point 199.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(acetylamino)ethyl benzoate
PSA 55.40000
LogP 1.37040

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

Product Name

2-(acetylamino)ethyl benzoate

2-Acetamidoethyl benzoate Specification

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