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(Perchloro-1,4-phenylene)dimethanamine dihydrochloride

(Perchloro-1,4-phenylene)dimethanamine dihydrochloride

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Molecular Formula:

C8H10Cl6N2

Molecular Weight:

346.88

CAS Number:

882490-82-6

Catalog Number:

882490-82-6

Product Information

Molecular Formula:

C8H10Cl6N2

Molecular Weight:

346.88

Synonyms

1,4-Benzenedimethanamine, 2,3,5,6-tetrachloro-, dihydrochloride; (perchloro-1,4-phenylene)dimethanaminedihydrochloride

IUPAC Name

[4-(aminomethyl)-2,3,5,6-tetrachlorophenyl]methanamine;dihydrochloride

Canonical SMILES

C(C1=C(C(=C(C(=C1Cl)Cl)CN)Cl)Cl)N.Cl.Cl

InChI

InChI=1S/C8H8Cl4N2.2ClH/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11;;/h1-2,13-14H2;2*1H

InChI Key

RNCAZJMXNZRIEP-UHFFFAOYSA-N

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

345.894564

Monoisotopic Mass

343.897514

Topological Polar Surface Area

Heavy Atom Count

Formal Charge

Complexity

156

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
EP-2139461-A2	Amino derivatives to prevent nephrotoxicity and cancer	2007-03-20
WO-2008113364-A2	Amino derivatives to prevent nephrotoxicity and cancer	2007-03-20

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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(Perchloro-1,4-phenylene)dimethanamine dihydrochloride

Product Information

Computed Properties

Patents

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