This chemical is called Benzoic acid, 2-hydroxy-, 2-[bis(2-hydroxyethyl)amino]ethyl ester, and its systematic name is 2-[bis(2-hydroxyethyl)amino]ethyl 2-hydroxybenzoate. With the molecular formula of C13H19NO5, its molecular weight is 269.29366. The CAS registry number of this chemical is 10377-95-4.
Other characteristics of the Benzoic acid, 2-hydroxy-, 2-[bis(2-hydroxyethyl)amino]ethyl ester can be summarised as followings: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.08; (4)ACD/LogD (pH 7.4): 1.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 4.15; (7)ACD/KOC (pH 5.5): 7.04; (8)ACD/KOC (pH 7.4): 86.08; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 57.23 Å2; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 69.86 cm3; (15)Molar Volume: 210.5 cm3; (16)Polarizability: 27.69×10-24cm3; (17)Surface Tension: 59.6 dyne/cm; (18)Density: 1.278 g/cm3; (19)Flash Point: 231.1 °C; (20)Enthalpy of Vaporization: 75.74 kJ/mol; (21)Boiling Point: 458.5 °C at 760 mmHg; (22)Vapour Pressure: 3.36E-09 mmHg at 25°C
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCCN(CCO)CCO)c1ccccc1O
2.InChI: InChI=1/C13H19NO5/c15-8-5-14(6-9-16)7-10-19-13(18)11-3-1-2-4-12(11)17/h1-4,15-17H,5-10H2
3.InChIKey: NAFDCRMGWKHMJQ-UHFFFAOYAR
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