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1H-Imidazole-1-propanenitrile,2-undecyl-

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Name

1H-Imidazole-1-propanenitrile,2-undecyl-

EINECS 245-973-4
CAS No. 23996-16-9 Density 0.95 g/cm3
PSA 41.61000 LogP 4.87008
Solubility Insoluble in water Melting Point 52 ºC
Formula C17H29N3 Boiling Point 445.2 ºC at 760 mmHg
Molecular Weight 275.437 Flash Point 223 ºC
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 23996-16-9 (1-(2-CYANOETHYL)-2-UNDECYLIMIDAZOLE) Hazard Symbols N/A
Synonyms

Imidazole-1-propionitrile,2-undecyl- (8CI);1-(2-Cyanoethyl)-2-undecylimidazole;1-(Cyanoethyl)-2-undecylimidazole;Curezol C11Z-CN;

 

1H-Imidazole-1-propanenitrile,2-undecyl- Specification

The 1H-Imidazole-1-propanenitrile,2-undecyl-, with the CAS registry number 23996-16-9, is also known as 1-(2-Cyanoethyl)-2-undecylimidazole. Its EINECS registry number is 245-973-4. This chemical's molecular formula is C17H29N3 and molecular weight is 275.43. What's more, its systematic name is called 3-(2-Undecyl-1H-imidazol-1-yl)propanenitrile.

Physical properties about 1H-Imidazole-1-propanenitrile,2-undecyl- are: (1)ACD/LogP: 4.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.98; (4)ACD/LogD (pH 7.4): 4.5; (5)ACD/BCF (pH 5.5): 38.76; (6)ACD/BCF (pH 7.4): 1292.32; (7)ACD/KOC (pH 5.5): 142.1; (8)ACD/KOC (pH 7.4): 4737.7; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 41.61 Å2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 87.08 cm3; (15)Molar Volume: 289.2 cm3; (16)Surface Tension: 36.2 dyne/cm; (17)Density: 0.95 g/cm3; (18)Flash Point: 223 °C; (19)Enthalpy of Vaporization: 70.31 kJ/mol; (20)Boiling Point: 445.2 °C at 760 mmHg; (21)Vapour Pressure: 4.04E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CCCn1ccnc1CCCCCCCCCCC
(2) InChI: InChI=1/C17H29N3/c1-2-3-4-5-6-7-8-9-10-12-17-19-14-16-20(17)15-11-13-18/h14,16H,2-12,15H2,1H3
(3) InChIKey: SZUPZARBRLCVCB-UHFFFAOYAQ

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