Free Chemical Databases
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[Synonyms]
EINECS 235-975-3
SBB003157
1-(p-Tolyl)piperazine dihydrochloride
13078-14-3
[Structure]
[ Properties Computed from Structure]
Molecular Weight 249.18002 [g/mol] Molecular Formula C11H18Cl2N2 H-Bond Donor 3 H-Bond Acceptor 2 Rotatable Bond Count 1 Exact Mass 248.084704 MonoIsotopic Mass 248.084704 Topological Polar Surface Area 15.3 Heavy Atom Count 15 Formal Charge 0 Complexity 144 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 3
[ Descriptors Computed from Structure]
IUPAC Name: 1-(4-methylphenyl)piperazine dihydrochloride
Canonical SMILES: CC1=CC=C(C=C1)N2CCNCC2.Cl.Cl
InChI: InChI=1/C11H16N2.2ClH/c1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;;/h2-5,12H,
6-9H2,1H3;2*1H
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