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Ethanol,2,2'-[[(5-methyl-1H-benzotriazol-1-yl)methyl]imino]bis- (80584-88-9)

Identification
Name:Ethanol,2,2'-[[(5-methyl-1H-benzotriazol-1-yl)methyl]imino]bis-
Synonyms:2,2'-[[(5-Methyl-1H-benzotriazol-1-yl)methyl]imino]bisethanol;
CAS:80584-88-9
EINECS: 279-501-3
Molecular Formula: C12H18N4O2
Molecular Weight: 250.30
InChI: InChI=1/C12H18N4O2/c1-10-2-3-12-11(8-10)13-14-16(12)9-15(4-6-17)5-7-18/h2-3,8,17-18H,4-7,9H2,1H3
Molecular Structure: (C12H18N4O2) 2,2'-[[(5-Methyl-1H-benzotriazol-1-yl)methyl]imino]bisethanol;
Properties
Density:1.29 g/cm3
Refractive index:1.623
Specification:

The 2,2'-[[(5-Methyl-1H-benzotriazol-1-yl)methyl]imino]bisethanol with the cas number 80584-88-9 is also called Ethanol,2,2'-[[(5-methyl-1H-benzotriazol-1-yl)methyl]imino]bis-. The IUPAC name is 2-[2-hydroxyethyl-[(5-methylbenzotriazol-1-yl)methyl]amino]ethanol. Its EINECS registry number is 279-501-3. The molecular formula is C12H18N4O2.

The properties of the chemical are: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): 1.76; (5)ACD/BCF (pH 5.5): 5.85; (6)ACD/BCF (pH 7.4): 12.78; (7)ACD/KOC (pH 5.5): 98.35; (8)ACD/KOC (pH 7.4): 214.69; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 74.41 Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 68.28 cm3; (15)Molar Volume: 193.5 cm3; (16)Polarizability: 27.07×10-24cm3; (17)Surface Tension: 52 dyne/cm; (18)Enthalpy of Vaporization: 79.44 kJ/mol; (19)Vapour Pressure: 2.41×10-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCN(CCO)Cn2nnc1cc(C)ccc12
(2)InChI: InChI=1/C12H18N4O2/c1-10-2-3-12-11(8-10)13-14-16(12)9-15(4-6-17)5-7-18/h2-3,8,17-18H,4-7,9H2,1H3
(3)InChIKey: HHYPDQBCLQZKLI-UHFFFAOYAB

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