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pentacyclo[6.6.6.0²,?.0?,¹?.0¹?,²?]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4,5,11,12,17,18-hexamine

pentacyclo[6.6.6.0²,?.0?,¹?.0¹?,²?]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4,5,11,12,17,18-hexamine

CAS: 58519-07-6

Formula: C20H20N6

SMILES: [H]C12C3=C(C=C(N)C(N)=C3)C([H])(C3=C1C=C(N)C(N)=C3)C1=C2C=C(N)C(N)=C1

IUPAC: pentacyclo[6.6.6.0²,?.0?,¹?.0¹?,²?]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4,5,11,12,17,18-hexamine

InChI: InChI=1S/C20H20N6/c21-13-1-7-8(2-14(13)22)20-11-5-17(25)15(23)3-9(11)19(7)10-4-16(24)18(26)6-12(10)20/h1-6,19-20H,21-26H2

Composition: C (69.75%), H (5.85%), N (24.40%)

Molar Mass: 344.422

Atom Count: 46

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 344.174944668
Formal Charge 0
FSP3 0.1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 6
InChIKey VDOXJAQJMWQJDF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 110.91
Topological Polar Surface Area 156.12
Polarizability 38.41
Ring Count 5
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 58519-07-6 $923.00-$2,123.00$923.00$2,123.00
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