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21602-32-4

21602-32-4 | 1-(4-tert-butyl-1-phenylcyclohexyl)-4-methylpiperazine- iodomethane(1:1)

CAS No: 21602-32-4 Catalog No: AG0070JA MDL No:

Product Description

Catalog Number:
AG0070JA
Chemical Name:
1-(4-tert-butyl-1-phenylcyclohexyl)-4-methylpiperazine- iodomethane(1:1)
CAS Number:
21602-32-4
Molecular Formula:
C22H37IN2
Molecular Weight:
456.4470
IUPAC Name:
1-(4-tert-butyl-1-phenylcyclohexyl)-4-methylpiperazine;iodomethane
InChI:
InChI=1S/C21H34N2.CH3I/c1-20(2,3)18-10-12-21(13-11-18,19-8-6-5-7-9-19)23-16-14-22(4)15-17-23;1-2/h5-9,18H,10-17H2,1-4H3;1H3
InChI Key:
FPMKBTFPOZFXOV-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C1(CCC(CC1)C(C)(C)C)c1ccccc1.CI

Properties

Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.2g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
456.456g/mol
Monoisotopic Mass:
456.2g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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