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37478-68-5

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Basic Information
CAS No.: 37478-68-5
Name: 2-(2-nonyl-2-imidazolin-1-yl)ethanol
Molecular Structure:
Molecular Structure of 37478-68-5 (2-(2-nonyl-2-imidazolin-1-yl)ethanol)
Formula: C14H28N2O
Molecular Weight: 240.389
Synonyms: 1-(2-Hydroxyethyl)-2-nonyl-2-imidazoline;1-(2-Hydroxyethyl)-2-nonylimidazoline;2-Nonyl-2-imidazoline-1-ethanol;
EINECS: 253-521-2
Density: 0.99 g/cm3
Boiling Point: 384.1 °C at 760 mmHg
Flash Point: 186.1 °C
PSA: 35.83000
LogP: 2.20700
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Specification

The 1H-Imidazole-1-ethanol,4,5-dihydro-2-nonyl-, with the CAS registry number 37478-68-5, is also known as 1-(2-Hydroxyethyl)-2-nonyl-4,5-dihydro-1H-imidazole. Its EINECS registry number is 253-521-2. This chemical's molecular formula is C14H28N2O and molecular weight is 240.38492. What's more, its systematic name is called 2-(2-Nonyl-4,5-dihydro-1H-imidazol-1-yl)ethanol.

Physical properties about 1H-Imidazole-1-ethanol,4,5-dihydro-2-nonyl- are: (1)ACD/LogP: 4.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.29; (4)ACD/LogD (pH 7.4): 2.33; (5)ACD/BCF (pH 5.5): 10.75; (6)ACD/BCF (pH 7.4): 11.7; (7)ACD/KOC (pH 5.5): 51.47; (8)ACD/KOC (pH 7.4): 56.01; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 24.83 Å2; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 72.19 cm3; (15)Molar Volume: 241.4 cm3; (16)Surface Tension: 36.1 dyne/cm; (17)Density: 0.99 g/cm3; (18)Flash Point: 186.1 °C; (19)Enthalpy of Vaporization: 73.18 kJ/mol; (20)Boiling Point: 384.1 °C at 760 mmHg; (21)Vapour Pressure: 1.75E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCCN1\C(=N/CC1)CCCCCCCCC
(2) InChI: InChI=1/C14H28N2O/c1-2-3-4-5-6-7-8-9-14-15-10-11-16(14)12-13-17/h17H,2-13H2,1H3
(3) InChIKey: SCBMJZZCHOUEQV-UHFFFAOYAJ