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6-(azepan-2-yl)quinoline; acetic acid

6-(azepan-2-yl)quinoline; acetic acid

CAS: 904816-03-1

Formula: C17H22N2O2

SMILES: CC(O)=O.C1CCNC(CC1)C1=CC2=CC=CN=C2C=C1

IUPAC: 6-(azepan-2-yl)quinoline; acetic acid

InChI: InChI=1/C15H18N2.C2H4O2/c1-2-6-14(16-9-3-1)13-7-8-15-12(11-13)5-4-10-17-15;1-2(3)4/h4-5,7-8,10-11,14,16H,1-3,6,9H2;1H3,(H,3,4)

Composition: C (71.30%), H (7.74%), N (9.78%), O (11.17%)

Molar Mass: 286.375

Atom Count: 43

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 286.168127956
Formal Charge 0
FSP3 0.41
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey IVPGCRCIJVXHRB-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.64
Topological Polar Surface Area 24.92
Polarizability 28.91
Ring Count 3
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 904816-03-1 $198.45-$297.68$198.45$297.68
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