CAS No.23328-87-2,2-HEPTADECYLIMIDAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	23328-87-2
Name:	2-HEPTADECYLIMIDAZOLE

Formula:	C₂₀H₃₈N₂
Molecular Weight:	306.535
Synonyms:	2-N-Heptadecylimidazole;
EINECS:	245-589-7
Density:	0.897 g/cm³
Melting Point:	89 °C
Boiling Point:	455.5 °C at 760 mmHg
Flash Point:	211.7 °C
Hazard Symbols:	R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes:	R36/37/38
PSA:	28.68000
LogP:	6.82360

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Specification

The 1H-Imidazole,2-heptadecyl-, with the CAS registry number of 23328-87-2, is also known as 2-N-Heptadecylimidazole. Its EINECS registry number is 245-589-7. This chemical's molecular formula is C₂₀H₃₈N₂ and molecular weight is 306.53. What's more, its IUPAC name is 2-Heptadecyl-1H-imidazole.

Physical properties about the 1H-Imidazole,2-heptadecyl- are: (1)ACD/LogP: 8.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.81; (4)ACD/LogD (pH 7.4): 7.19; (5)ACD/BCF (pH 5.5): 4213.13; (6)ACD/BCF (pH 7.4): 101478.91; (7)ACD/KOC (pH 5.5): 2986.74; (8)ACD/KOC (pH 7.4): 71939.59; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.484; (14) Molar Refractivity: 97.81 cm³; (15)Molar Volume: 341.3 cm³; (16)Surface Tension: 35.6 dyne/cm; (17)Density: 0.897 g/cm³; (18)Flash Point: 211.7 °C; (19)Enthalpy of Vaporization: 68.78 kJ/mol; (20)Boiling Point: 455.5 °C at 760 mmHg; (21)Vapour Pressure: 4.74E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1ccnc1CCCCCCCCCCCCCCCCC
(2) InChI: InChI=1/C20H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h18-19H,2-17H2,1H3,(H,21,22)
(3) InChIKey: YTWBFUCJVWKCCK-UHFFFAOYAO