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N-[3-(dimethylamino)propyl]-4-nitrobenzamide

N-[3-(dimethylamino)propyl]-4-nitrobenzamide

Formula: C12H17N3O3

SMILES: CN(C)CCCNC(=O)C1=CC=C(C=C1)[N+]([O-])=O

IUPAC: N-[3-(dimethylamino)propyl]-4-nitrobenzamide

InChI: InChI=1S/C12H17N3O3/c1-14(2)9-3-8-13-12(16)10-4-6-11(7-5-10)15(17)18/h4-7H,3,8-9H2,1-2H3,(H,13,16)

Composition: C (57.36%), H (6.82%), N (16.72%), O (19.10%)

Molar Mass: 251.286

Atom Count: 35

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 251.126991419
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey KPFXNPAEVCQFKE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.24
Topological Polar Surface Area 75.48
Polarizability 25.78
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C12H17N3O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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