| CAS Number | 14401-56-0 |
| Catalog Number | AG01CC7H(AGN-PC-0PUWI5) |
| Chemical Name | 1,4-Benzenedicarboximidamide, dihydrochloride |
| IUPAC Name | benzene-1,4-dicarboximidamide;dihydrochloride |
| InChI | InChI=1S/C8H10N4.2ClH/c9-7(10)5-1-2-6(4-3-5)8(11)12;;/h1-4H,(H3,9,10)(H3,11,12);2*1H |
| InChI Key | XFIJMILWUMIXPQ-UHFFFAOYSA-N |
| MDL Number | MFCD00136761 |
| Molecular Formula | C8H12Cl2N4 |
| Molecular Weight | 235.1137 |
| SMILES | N=C(C1=CC=C(C(N)=N)C=C1)N.[H]Cl.[H]Cl |
| Synonyms | 14401-56-0,
AC1MCNN5,
Benzene-1,4-dicarboximidamide Dihydrochloride,
C8H12N4Cl2,
CHEMBL534507,
Terephthalimidamide dihydrochloride,
AKOS004903530,
MCULE-4016430977,
1,4-Benzenedicarboximidamide, dihydrochloride,
benzene-1,4-dicarboximidamide,
p-Phthalamidine Dihydrochloride,
CID2747969,
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| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.112g/mol |
| Monoisotopic Mass | 234.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 99.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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