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80584-89-0

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Basic Information
CAS No.: 80584-89-0
Name: 2,2'-[[(4-Methyl-1H-benzotriazol-1-yl)methyl]imino]bisethanol
Molecular Structure:
Molecular Structure of 80584-89-0 (2,2'-[[(4-Methyl-1H-benzotriazol-1-yl)methyl]imino]bisethanol)
Formula: C12H18N4O2
Molecular Weight: 250.30
Synonyms: 2,2'-[[(4-Methyl-1H-benzotriazol-1-yl)methyl]imino]bisethanol;ethanol, 2,2'-[[(4-methyl-1H-1,2,3-benzotriazol-1-yl)methyl]imino]bis-;
EINECS: 279-502-9
Density: 1.29 g/cm2
Boiling Point: 488.2 °C at 760 mmHg
Flash Point: 249 °C
PSA: 74.41000
LogP: -0.01620
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Specification

The 2,2'-[[(4-Methyl-1H-benzotriazol-1-yl)methyl]imino]bisethanol with the CAS number 80584-89-0 is also called Ethanol,2,2'-[[(4-methyl-1H-benzotriazol-1-yl)methyl]imino]bis-. The IUPAC name is 2-[2-hydroxyethyl-[(4-methylbenzotriazol-1-yl)methyl]amino]ethanol. Its molecular formula is C12H18N4O2. The EINECS registry number is 279-502-9.

The properties of the 2,2'-[[(4-Methyl-1H-benzotriazol-1-yl)methyl]imino]bisethanol are: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 6; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 52.41 Å2; (7)Index of Refraction: 1.623; (8)Molar Refractivity: 68.28 cm3; (9)Molar Volume: 193.5 cm3; (10)Polarizability: 27.07×10-24cm3; (11)Surface Tension: 52 dyne/cm; (12)Enthalpy of Vaporization: 79.44 kJ/mol; (13)Vapour Pressure: 2.41×10-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1nn(c2cccc(c12)C)CN(CCO)CCO
(2)InChI: InChI=1/C12H18N4O2/c1-10-3-2-4-11-12(10)13-14-16(11)9-15(5-7-17)6-8-18/h2-4,17-18H,5-9H2,1H3
(3)InChIKey: ZUHDIDYOAZNPBV-UHFFFAOYAQ