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4-(dimethylamino)-1-({4-[4-(4-{[4-(dimethylamino)pyridin-1-ium-1-yl]methyl}phenyl)butyl]phenyl}methyl)pyridin-1-ium dibromide

4-(dimethylamino)-1-({4-[4-(4-{[4-(dimethylamino)pyridin-1-ium-1-yl]methyl}phenyl)butyl]phenyl}methyl)pyridin-1-ium dibromide

CAS: 203192-01-2

Formula: C32H40Br2N4

SMILES: [Br-].[Br-].CN(C)C1=CC=[N+](CC2=CC=C(CCCCC3=CC=C(C[N+]4=CC=C(C=C4)N(C)C)C=C3)C=C2)C=C1

IUPAC: 4-(dimethylamino)-1-({4-[4-(4-{[4-(dimethylamino)pyridin-1-ium-1-yl]methyl}phenyl)butyl]phenyl}methyl)pyridin-1-ium dibromide

InChI: InChI=1S/C32H40N4.2BrH/c1-33(2)31-17-21-35(22-18-31)25-29-13-9-27(10-14-29)7-5-6-8-28-11-15-30(16-12-28)26-36-23-19-32(20-24-36)34(3)4;;/h9-24H,5-8,25-26H2,1-4H3;2*1H/q+2;;/p-2

Composition: C (60.01%), H (6.30%), Br (24.95%), N (8.75%)

Molar Mass: 640.508

Atom Count: 78

Heavy Atom Count: 38

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 638.161973
Formal Charge 0
FSP3 0.31
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey YLHINOUDZGYMNO-UHFFFAOYSA-L
Lipinski's Rule of Five
Molar Refractivity 155.68
Topological Polar Surface Area 14.24
Polarizability 58.24
Ring Count 4
Rotatable Bond Count 11

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Purity LeadTime CAS UnitPrice
98% <10 Days 203192-01-2 Quote Only
Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 203192-01-2 $2,165.55-$3,260.93$2,165.55$3,260.93
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