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61791-38-6

Basic Information
CAS No.: 61791-38-6
Name: 1H-Imidazole-1-ethanol, 4,5-dihydro-, 2-norcoco alkyl derivs.
Molecular Structure:
Molecular Structure of 61791-38-6 (1H-Imidazole-1-ethanol, 4,5-dihydro-, 2-norcoco alkyl derivs.)
Formula: C5H10N2O
Molecular Weight: 114.1457
Synonyms: 1-(2-Hydroxyethyl)-2-nor(coconutoil alkyl)-2-imidazoline;1H-Imidazole-1-ethanol,4,5-dihydro-, 2-norcoco alkyl derivs.;
EINECS: 263-170-7
Density: 1.17 g/cm3
Boiling Point: 230.3 °C at 760 mmHg
Flash Point: 93.1 °C
Solubility: 5mg/L at 25℃
Appearance: liquid
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    Molecular Formula:C5H10N2O

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Specification

The Cocoyl hydroxyethyl imidazoline, with the CAS registry number of 61791-38-6, is also known as 1-(2-Hydroxyethyl)-2-coco-2-imidazoline and 1-(2-Hydroxyethyl)-2-nor(coconut oil alkyl)-2-imidazoline. Its EINECS registry number is 263-170-7. This chemical's molecular formula is C5H10N2O and molecular weight is 114.1457. What's more, its IUPAC name is 2-(4, 5-Dihydroimidazol-1-yl)ethanol. This chemical's classification code is TSCA UVCB. Besides, it is useful as chemical intermediate, acid detergent, metal and textile processing aid.

Physical properties about Cocoyl hydroxyethyl imidazoline are: (1)ACD/LogP: -1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.94; (4)ACD/LogD (pH 7.4): -3.9; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 24.83 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 30.89 cm3; (15)Molar Volume: 96.9 cm3; (16)Polarizability: 12.24×10-24 cm3; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.17 g/cm3; (19)Flash Point: 93.1 °C; (20)Enthalpy of Vaporization: 54.29 kJ/mol; (21)Boiling Point: 230.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0126 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCCN1\C=N/CC1
(2) InChI: InChI=1/C5H10N2O/c8-4-3-7-2-1-6-5-7/h5,8H,1-4H2
(3) InChIKey: GOHZKUSWWGUUNR-UHFFFAOYAN