| CAS Number | 68936-13-0 |
| Catalog Number | AG003RI3(AGN-PC-0TU3YF) |
| Chemical Name | 4-[(E)-(4-Methoxyphenyl)diazenyl]benzene-1,3-diamine |
| IUPAC Name | 4-[(4-methoxyphenyl)diazenyl]benzene-1,3-diamine;hydrochloride |
| InChI | InChI=1S/C13H14N4O.ClH/c1-18-11-5-3-10(4-6-11)16-17-13-7-2-9(14)8-12(13)15;/h2-8H,14-15H2,1H3;1H |
| InChI Key | NKGWQPAKARFOPX-UHFFFAOYSA-N |
| MDL Number | MFCD00060224 |
| Molecular Formula | C13H15ClN4O |
| Molecular Weight | 278.7374 |
| SMILES | Cl.N(=NC1=CC=C(N)C=C1N)C2=CC=C(OC)C=C2 |
| Synonyms | Methoxy Red,
4-Methoxychrysoidine Hydrochloride,
68936-13-0,
4-[(E)-(4-Methoxyphenyl)diazenyl]-benzene-1,3-diamine,
MFCD00060224,
M0129,
4-(4-Methoxyphenylazo)-1,3-phenylenediamine Monohydrochloride,
(E)-4-((4-methoxyphenyl)diazenyl)benzene-1,3-diamine hydrochloride,
1,3-Benzenediamine,4-[2-(4-methoxyphenyl)diazenyl]-,hydrochloride(1:1),
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| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.74g/mol |
| Monoisotopic Mass | 278.093g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 86A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number