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N1-(5-nitroquinolin-8-yl)butane-1,4-diamine

N1-(5-nitroquinolin-8-yl)butane-1,4-diamine

Formula: C13H16N4O2

SMILES: NCCCCNC1=CC=C(C2=CC=CN=C12)[N+]([O-])=O

IUPAC: N1-(5-nitroquinolin-8-yl)butane-1,4-diamine

InChI: InChI=1S/C13H16N4O2/c14-7-1-2-8-15-11-5-6-12(17(18)19)10-4-3-9-16-13(10)11/h3-6,9,15H,1-2,7-8,14H2

Composition: C (59.99%), H (6.20%), N (21.52%), O (12.29%)

Molar Mass: 260.297

Atom Count: 35

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 260.127325771
Formal Charge 0
FSP3 0.31
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey SQGQBHJVJIZCHD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.95
Topological Polar Surface Area 94.08
Polarizability 28.84
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C13H16N4O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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