1-[(2,3-Dichlorophenyl)methyl]piperazine dihydrochloride - CAS 636607-91-5
Catalog: |
BB053078 |
Product Name: |
1-[(2,3-Dichlorophenyl)methyl]piperazine dihydrochloride |
CAS: |
636607-91-5 |
Synonyms: |
1-(2,3-Dichlorobenzyl)piperazine dihydrochloride |
IUPAC Name: | 1-[(2,3-dichlorophenyl)methyl]piperazine;dihydrochloride |
Molecular Weight: | 318.1 |
Molecular Formula: | C11H16Cl4N2 |
Canonical SMILES: | C1CN(CCN1)CC2=C(C(=CC=C2)Cl)Cl.Cl.Cl |
InChI: | InChI=1S/C11H14Cl2N2.2ClH/c12-10-3-1-2-9(11(10)13)8-15-6-4-14-5-7-15;;/h1-3,14H,4-8H2;2*1H |
InChI Key: | KLJOQHAOWBAJAU-UHFFFAOYSA-N |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.0534038 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.0534038 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 15.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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