| CAS Number | 36681-58-0 |
| Catalog Number | AG01B9YA |
| Chemical Name | 3-Amino-1-(2-aminophenyl)propan-1-one dihydrochloride |
| IUPAC Name | 3-amino-1-(2-aminophenyl)propan-1-one;dihydrochloride |
| InChI | InChI=1S/C9H12N2O.2ClH/c10-6-5-9(12)7-3-1-2-4-8(7)11;;/h1-4H,5-6,10-11H2;2*1H |
| InChI Key | GIUIHRRGPBPUAO-UHFFFAOYSA-N |
| MDL Number | MFCD28384025 |
| Molecular Formula | C9H14Cl2N2O |
| Molecular Weight | 237.1263 |
| SMILES | Cl.Cl.NCCC(C1=C(N)C=CC=C1)=O |
| Synonyms | 3-amino-1-(2-aminophenyl)propan-1-one dihydrochloride,
36681-58-0,
Z2037273395,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.124g/mol |
| Monoisotopic Mass | 236.048g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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