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1-[(4-bromophenyl)methyl]-4-(4-methylcyclohexyl)piperazine

1-[(4-bromophenyl)methyl]-4-(4-methylcyclohexyl)piperazine

Formula: C18H27BrN2

SMILES: CC1CCC(CC1)N1CCN(CC2=CC=C(Br)C=C2)CC1

IUPAC: 1-[(4-bromophenyl)methyl]-4-(4-methylcyclohexyl)piperazine

InChI: InChI=1S/C18H27BrN2/c1-15-2-8-18(9-3-15)21-12-10-20(11-13-21)14-16-4-6-17(19)7-5-16/h4-7,15,18H,2-3,8-14H2,1H3

Composition: C (61.54%), H (7.75%), Br (22.74%), N (7.97%)

Molar Mass: 351.332

Atom Count: 48

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 350.135762
Formal Charge 0
FSP3 0.67
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey CMQJAFMJIPYRSC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.84
Topological Polar Surface Area 6.48
Polarizability 36.68
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H27BrN2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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