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95-38-5

Basic Information
CAS No.: 95-38-5
Name: N-B-HYDROXYETHYL OLEYL IMIDAZOLINE
Article Data: 1
Molecular Structure:
Molecular Structure of 95-38-5 (N-B-HYDROXYETHYL OLEYL IMIDAZOLINE)
Formula: C22H42N2O
Molecular Weight: 350.588
Synonyms: 1H-Imidazole-1-ethanol,2-(8-heptadecenyl)-4,5-dihydro- (9CI);2-Imidazoline-1-ethanol, 2-(8-heptadecenyl)-(6CI,7CI,8CI);1-(2-Hydroxyethyl)-2-heptadecenyl-2-imidazoline;2-(8-Heptadecenyl)-2-imidazoline-1-ethanol;Amine 220;NSC 231649;Nalcamine G13;UCL 5410;
EINECS: 202-414-9
Density: 0.94 g/cm3
Boiling Point: 498.3 °C at 760 mmHg
Flash Point: 255.2 °C
Solubility: 2.4μg/L at 25℃
PSA: 35.83000
LogP: 5.10380
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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The 1H-Imidazole-1-ethanol,2-(8-heptadecen-1-yl)-4,5-dihydro-, with the CAS registry number 95-38-5, is also known as 1H-imidazole-1-ethanol, 2-[(8E)-8-heptadecen-1-yl]-4,5-dihydro-. Its EINECS registry number is 202-414-9. This chemical's molecular formula is C22H42N2O and molecular weight is 350.5817. Its systematic name is called 2-{2-[(8E)-heptadec-8-en-1-yl]-4,5-dihydro-1H-imidazol-1-yl}ethanol.

Physical properties of 1H-Imidazole-1-ethanol,2-(8-heptadecen-1-yl)-4,5-dihydro-: (1)ACD/LogP: 8.02; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 18; (6)Index of Refraction: 1.501; (7)Molar Refractivity: 109.06 cm3; (8)Molar Volume: 370 cm3; (9)Surface Tension: 35.1 dyne/cm; (10)Density: 0.94 g/cm3; (11)Flash Point: 255.2 °C; (12)Enthalpy of Vaporization: 88.27 kJ/mol; (13)Boiling Point: 498.3 °C at 760 mmHg; (14)Vapour Pressure: 5.12E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCN1\C(=N/CC1)CCCCCCC/C=C/CCCCCCCC
(2)InChI: InChI=1/C22H42N2O/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/h9-10,25H,2-8,11-21H2,1H3/b10-9+
(3)InChIKey: WGTDLPBPQKAPMN-MDZDMXLPBG

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 88mg/kg (88mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 428, 1949.