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121477-79-0

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Basic Information
CAS No.: 121477-79-0
Name: 2-(5-ETHOXY-1H-BENZOIMIDAZOL-2-YLAMINO)-ETHANOL
Molecular Structure:
Molecular Structure of 121477-79-0 (2-(5-ETHOXY-1H-BENZOIMIDAZOL-2-YLAMINO)-ETHANOL)
Formula: C11H15N3O2
Molecular Weight: 221.26
Synonyms: Ethanol,2-[(5-ethoxy-1H-benzimidazol-2-yl)amino]- (9CI);2-[(6-ethoxy-1H-benzimidazol-2-yl)amino]ethanol;Ethanol, 2-[(5-ethoxy-1H-benzimidazol-2-yl)amino]-;
Density: 1.308 g/cm3
Boiling Point: 442.4 °C at 760 mmHg
Flash Point: 221.4 °C
Hazard Symbols: Xi
Risk Codes:  Xi:;
">  Xi:;
PSA: 70.17000
LogP: 1.43880
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Specification

The Ethanol,2-[(6-ethoxy-1H-benzimidazol-2-yl)amino]-, with the CAS registry number 121477-79-0, has the systematic name of 2-[(6-ethoxy-1H-benzimidazol-2-yl)amino]ethanol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C11H15N3O2.

The characteristics of Ethanol,2-[(6-ethoxy-1H-benzimidazol-2-yl)amino]- are as followings: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.06; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 3.42; (6)ACD/KOC (pH 5.5): 3.34; (7)ACD/KOC (pH 7.4): 75.61; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 39.52 Å2; (12)Index of Refraction: 1.677; (13)Molar Refractivity: 63.7 cm3; (14)Molar Volume: 169 cm3; (15)Polarizability: 25.25×10-24cm3; (16)Surface Tension: 63.2 dyne/cm; (17)Density: 1.308 g/cm3; (18)Flash Point: 221.4 °C; (19)Enthalpy of Vaporization: 73.76 kJ/mol; (20)Boiling Point: 442.4 °C at 760 mmHg; (21)Vapour Pressure: 1.32E-08 mmHg at 25°C.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(c2cc1c(nc(n1)NCCO)cc2)CC
(2)InChI: InChI=1/C11H15N3O2/c1-2-16-8-3-4-9-10(7-8)14-11(13-9)12-5-6-15/h3-4,7,15H,2,5-6H2,1H3,(H2,12,13,14)
(3)InChIKey: WBOZZYVRQGMWHG-UHFFFAOYAH