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N1-(octan-2-yl)-N4-phenylbenzene-1,4-diamine

N1-(octan-2-yl)-N4-phenylbenzene-1,4-diamine

CAS: 15233-47-3

Formula: C20H28N2

SMILES: CCCCCCC(C)NC1=CC=C(NC2=CC=CC=C2)C=C1

IUPAC: N1-(octan-2-yl)-N4-phenylbenzene-1,4-diamine

InChI: InChI=1/C20H28N2/c1-3-4-5-7-10-17(2)21-19-13-15-20(16-14-19)22-18-11-8-6-9-12-18/h6,8-9,11-17,21-22H,3-5,7,10H2,1-2H3

Composition: C (81.03%), H (9.52%), N (9.45%)

Molar Mass: 296.458

Atom Count: 50

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 296.22524891
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey JQTYAZKTBXWQOM-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 96.83
Topological Polar Surface Area 24.06
Polarizability 37.02
Ring Count 2
Rotatable Bond Count 9

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