CAS No.23996-16-9,1-(2-CYANOETHYL)-2-UNDECYLIMIDAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	23996-16-9
Name:	1-(2-CYANOETHYL)-2-UNDECYLIMIDAZOLE

Formula:	C₁₇H₂₉N₃
Molecular Weight:	275.437
Synonyms:	Imidazole-1-propionitrile,2-undecyl- (8CI);1-(2-Cyanoethyl)-2-undecylimidazole;1-(Cyanoethyl)-2-undecylimidazole;Curezol C11Z-CN;
EINECS:	245-973-4
Density:	0.95 g/cm³
Melting Point:	52 ºC
Boiling Point:	445.2 ºC at 760 mmHg
Flash Point:	223 ºC
Solubility:	Insoluble in water
PSA:	41.61000
LogP:	4.87008

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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