(Perchloro-1,4-phenylene)dimethanamine dihydrochloride
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
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
4
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
345.894564
Monoisotopic Mass
343.897514
Topological Polar Surface Area
52
Heavy Atom Count
16
Formal Charge
0
Complexity
156
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
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 |
