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21602-37-9 | 1-methyl-4-[1-(2-methylphenyl)cyclohexyl]piperazine- iodomethane(1:1)
CAS No: 21602-37-9 Catalog No: AG007PT2 MDL No:
Product Description
Catalog Number:
AG007PT2
Chemical Name:
1-methyl-4-[1-(2-methylphenyl)cyclohexyl]piperazine- iodomethane(1:1)
CAS Number:
21602-37-9
Molecular Formula:
C19H31IN2
Molecular Weight:
414.3673
IUPAC Name:
iodomethane;1-methyl-4-[1-(2-methylphenyl)cyclohexyl]piperazine
InChI:
InChI=1S/C18H28N2.CH3I/c1-16-8-4-5-9-17(16)18(10-6-3-7-11-18)20-14-12-19(2)13-15-20;1-2/h4-5,8-9H,3,6-7,10-15H2,1-2H3;1H3
InChI Key:
ZSYCYUNWZBYRNU-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C1(CCCCC1)c1ccccc1C.CI
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.153g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.375g/mol
Monoisotopic Mass:
414.153g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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