CAS 101722-12-7 | Benzonitrile, 4,4'-(1,4-piperazinediyl)bis- | CAS Number 101722-12-7

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101722-12-7 | Benzonitrile, 4,4'-(1,4-piperazinediyl)bis-

CAS No: 101722-12-7 Catalog No: AG0005B0 MDL No:

Product Description

Catalog Number:

AG0005B0

Chemical Name:

Benzonitrile, 4,4'-(1,4-piperazinediyl)bis-

CAS Number:

101722-12-7

Molecular Formula:

C18H16N4

Molecular Weight:

288.3464

IUPAC Name:

4-[4-(4-cyanophenyl)piperazin-1-yl]benzonitrile

InChI:

InChI=1S/C18H16N4/c19-13-15-1-5-17(6-2-15)21-9-11-22(12-10-21)18-7-3-16(14-20)4-8-18/h1-8H,9-12H2

InChI Key:

RLQAJUVIPVAGHR-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)C#N

NSC Number:

725902

Properties

Complexity:

402

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

288.137g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

288.354g/mol

Monoisotopic Mass:

288.137g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
1,4-diarylpiperazines and analogs as anti-tubercular agents: synthesis and biological evaluation.	European journal of medicinal chemistry 20120301
Highly active anti-Pneumocystis carinii compounds in a library of novel piperazine-linked bisbenzamidines and related compounds.	Antimicrobial agents and chemotherapy 20041101