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IC-6(CAS No. 41537-67-1)

IC-6 C24H32N2 (cas 41537-67-1) Molecular Structure

41537-67-1 Structure

Identification and Related Records

【Name】
IC-6
【CAS Registry number】
41537-67-1
【Synonyms】
1-Cyclohexyl-4-(1,2-diphenylethyl)piperazine
IC-6
MT-45
【Molecular Formula】
C24H32N2 (Products with the same molecular formula)
【Molecular Weight】
0
【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
【Canonical SMILES】
C1CCC(CC1)N2CCN(CC2)C(CC3=CC=CC=C3)C4=CC=CC=C4

Chemical and Physical Properties

【Density】
1.073 g/cm3
【Boiling Point】
450.838 °C at 760 mmHg
【Flash Point】
200.613 °C
【Computed Properties】
Molecular Weight:348.52428 [g/mol]
Molecular Formula:C24H32N2
XLogP3-AA:5.4
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:5
Exact Mass:348.256549
MonoIsotopic Mass:348.256549
Topological Polar Surface Area:6.5
Heavy Atom Count:26
Formal Charge:0
Complexity:383
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Cation Count:2
Feature 3D Ring Count:4
Effective Rotor Count:7.4
Conformer Sampling RMSD:0.8
CID Conformer Count:54

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