| CAS Number | 89691-81-6 |
| Catalog Number | AG01DDS6(AGN-PC-0VPFEU) |
| Chemical Name | 3,4-Diaminophenol dihydrochloride |
| IUPAC Name | 3,4-diaminophenol;dihydrochloride |
| InChI | InChI=1S/C6H8N2O.2ClH/c7-5-2-1-4(9)3-6(5)8;;/h1-3,9H,7-8H2;2*1H |
| InChI Key | NAFSXWYMNOBCEI-UHFFFAOYSA-N |
| MDL Number | MFCD18459166 |
| Molecular Formula | C6H10Cl2N2O |
| Molecular Weight | 197.0624 |
| SMILES | Cl.Cl.NC=1C=C(C=CC1N)O |
| Synonyms | 3,4-diaminophenol dihydrochloride,
89691-81-6,
SCHEMBL10954400,
AKOS015958946,
Z2787258827,
ACN-054551,
Phenol, 3,4-diamino-, hydrochloride (1:2),
|
| Complexity | 97.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.059g/mol |
| Monoisotopic Mass | 196.017g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 72.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number