CAS 1013-22-5 | Piperazine, 1-(2,3-dimethylphenyl)- | CAS Number 1013-22-5

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1013-22-5 | Piperazine, 1-(2,3-dimethylphenyl)-

CAS No: 1013-22-5 Catalog No: AG000464 MDL No:MFCD00040730

Product Description

Catalog Number:

AG000464

Chemical Name:

Piperazine, 1-(2,3-dimethylphenyl)-

CAS Number:

1013-22-5

Molecular Formula:

C12H18N2

Molecular Weight:

190.2847

MDL Number:

MFCD00040730

IUPAC Name:

1-(2,3-dimethylphenyl)piperazine

InChI:

InChI=1S/C12H18N2/c1-10-4-3-5-12(11(10)2)14-8-6-13-7-9-14/h3-5,13H,6-9H2,1-2H3

InChI Key:

LIKXJDINUMWKQA-UHFFFAOYSA-N

SMILES:

Cc1c(C)cccc1N1CCNCC1

EC Number:

213-794-0

Properties

Complexity:

175

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

190.147g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

190.29g/mol

Monoisotopic Mass:

190.147g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

15.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
Endocannabinoids modulate non-adrenergic, non-cholinergic inhibitory neurotransmission in strips from the mouse gastric fundus.	Acta physiologica (Oxford, England) 20120901
Structure-activity relationships, ligand efficiency, and lipophilic efficiency profiles of benzophenone-type inhibitors of the multidrug transporter P-glycoprotein.	Journal of medicinal chemistry 20120412
4-(o-Tol-yl)piperazin-1-ium chloride.	Acta crystallographica. Section E, Structure reports online 20111101
1-(2,5-Dimethyl-phen-yl)piperazine-1,4-diium tetra-chloridozincate monohydrate.	Acta crystallographica. Section E, Structure reports online 20110401
4-(2,3-Dimethyl-phen-yl)piperazin-1-ium chloride monohydrate.	Acta crystallographica. Section E, Structure reports online 20080701
Central and peripheral mechanisms of narcotic antitussives: codeine-sensitive and -resistant coughs.	Cough (London, England) 20070101