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| CAS No.: | 95-19-2 |
|---|---|
| Name: | 2-(2-heptadecyl-2-imidazolin-1-yl)ethanol |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C22H44N2O |
| Molecular Weight: | 352.604 |
| Synonyms: | 2-Imidazoline-1-ethanol,2-heptadecyl- (6CI,7CI,8CI);1-(2-Hydroxyethyl)-2-heptadecyl-2-imidazoline;1-(Hydroxyethyl)-2-(heptadecyl)imidazoline;1-(Hydroxyethyl)-2-heptadecyl-2-imidazoline;1-(b-Hydroxyethyl)-2-heptadecylimidazoline;1-Hydroxyethyl-2-heptadecylglyoxalidine;2-Heptadecyl-1-(2-hydroxyethyl)-2-imidazoline;2-Heptadecyl-1-hydroxyethyl-2-imidazoline;2-Heptadecyl-2-imidazoline-1-ethanol;2-Heptadecyl-3-hydroxyethylimidazoline;Amine 225;Casamine SH;Crodazoline O;Fungicide 337;NSC 22372; |
| EINECS: | 202-397-8 |
| Density: | 0.95 g/cm3 |
| Melting Point: | 64°C |
| Boiling Point: | 489 °C at 760 mmHg |
| Flash Point: | 249.5 °C |
| Appearance: | cream-coloured solid |
| PSA: | 35.83000 |
| LogP: | 5.32780 |
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- Total:23 Page 1 of 1 1
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The 1-(2-Hydroxyethyl)-2-(heptadecyl)imidazoline, with the CAS registry number 95-19-2, is also known as 1H-Imidazole-1-ethanol, 2-heptadecyl-4,5-dihydro-. This chemical's molecular formula is C22H44N2O and molecular weight is 352.59756. Its IUPAC name is called 2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol.
Physical properties of 1-(2-Hydroxyethyl)-2-(heptadecyl)imidazoline: (1)ACD/LogP: 8.54; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.54; (4)ACD/LogD (pH 7.4): 6.58; (5)ACD/BCF (pH 5.5): 18277.79; (6)ACD/BCF (pH 7.4): 19938.24; (7)ACD/KOC (pH 5.5): 10568.03; (8)ACD/KOC (pH 7.4): 11528.08; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 19; (12)Index of Refraction: 1.501; (13)Molar Refractivity: 109.06 cm3; (14)Molar Volume: 370 cm3; (15)Surface Tension: 35.1 dyne/cm; (16)Density: 0.95 g/cm3; (17)Flash Point: 249.5 °C; (18)Enthalpy of Vaporization: 87.01 kJ/mol; (19)Boiling Point: 489 °C at 760 mmHg; (20)Vapour Pressure: 1.3E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCCCC1=NCCN1CCO
(2)InChI: InChI=1S/C22H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h25H,2-21H2,1H3
(3)InChIKey: QJEBJKXTNSYBGE-UHFFFAOYSA-N