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41537-67-1

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Basic Information
CAS No.: 41537-67-1
Name: IC-6
Article Data: 3
Molecular Structure:
Molecular Structure of 41537-67-1 (IC-6)
Formula: C24H32N2
Molecular Weight: 348.52
Synonyms: 4-cyclohexyl-1-(1,2-diphenylethyl)piperazine;
Density: 1.073 g/cm3
Boiling Point: 450.838 °C at 760 mmHg
Flash Point: 200.613 °C
Appearance: White powder
PSA: 6.48000
LogP: 4.79650
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Specification

The Piperazine, 1-cyclohexyl-4-(1,2-diphenylethyl)-, with the CAS registry number 41537-67-1, is also known as MT-45. This chemical's molecular formula is C24H32N2 and molecular weight is 348.52. What's more, both its IUPAC name and systematic name are the same which is called 1-Cyclohexyl-4-(1,2-diphenylethyl)piperazine. It has been used as a lead compound from which a large family of potent opioid drugs have been developed, including full agonists, partial agonists and antagonists at the three main opioid receptor subtypes.

Physical properties about Piperazine, 1-cyclohexyl-4-(1,2-diphenylethyl)- are: (1)ACD/LogP: 4.945; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 4.36; (5)ACD/BCF (pH 5.5): 17.25; (6)ACD/BCF (pH 7.4): 869.11; (7)ACD/KOC (pH 5.5): 59.68; (8)ACD/KOC (pH 7.4): 3005.97; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 109.584 cm3; (15)Molar Volume: 324.942 cm3; (16)Polarizability: 43.442×10-24cm3; (17)Surface Tension: 46.366 dyne/cm; (18)Density: 1.073 g/cm3; (19)Flash Point: 200.613 °C; (20)Enthalpy of Vaporization: 70.978 kJ/mol; (21)Boiling Point: 450.838 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N2(CCN(C1CCCCC1)CC2)C(c3ccccc3)Cc4ccccc4
(2) InChI: InChI=1S/C24H32N2/c1-4-10-21(11-5-1)20-24(22-12-6-2-7-13-22)26-18-16-25(17-19-26)23-14-8-3-9-15-23/h1-2,4-7,10-13,23-24H,3,8-9,14-20H2
(3) InChIKey: IGBRRSIHEGCUEN-UHFFFAOYSA-N