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3-(2-aminoethyl)-10-(dimethylamino)-3-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione

3-(2-aminoethyl)-10-(dimethylamino)-3-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione

Formula: C16H17N3O2

SMILES: CN(C)C1=C2C=CC=C3C(=O)N(CCN)C(=O)C(C=C1)=C23

IUPAC: 3-(2-aminoethyl)-10-(dimethylamino)-3-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione

InChI: InChI=1S/C16H17N3O2/c1-18(2)13-7-6-12-14-10(13)4-3-5-11(14)15(20)19(9-8-17)16(12)21/h3-7H,8-9,17H2,1-2H3

Composition: C (67.83%), H (6.05%), N (14.83%), O (11.29%)

Molar Mass: 283.331

Atom Count: 38

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 283.132076799
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey IQKFJZKSENZCLN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 83.04
Topological Polar Surface Area 66.64
Polarizability 31.66
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
97.41% <7 Days C16H17N3O2 $274.89-$2,057.00$274.89$467.50$935.00$2,057.00
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98% <10 Days C16H17N3O2 Quote Only
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