| CAS Number | 1258650-84-8 |
| Catalog Number | AG01AAEN |
| Chemical Name | 3-[(2-aminophenyl)amino]propanamide hydrochloride |
| IUPAC Name | 3-(2-aminoanilino)propanamide;hydrochloride |
| InChI | InChI=1S/C9H13N3O.ClH/c10-7-3-1-2-4-8(7)12-6-5-9(11)13;/h1-4,12H,5-6,10H2,(H2,11,13);1H |
| InChI Key | QEKKOJIKTYKYQF-UHFFFAOYSA-N |
| MDL Number | MFCD17167163 |
| Molecular Formula | C9H14ClN3O |
| Molecular Weight | 215.6800 |
| SMILES | Cl.NC(CCNC1=C(N)C=CC=C1)=O |
| Synonyms | 3-[(2-aminophenyl)amino]propanamide hydrochloride,
1258650-84-8,
EN300-68389,
AC1Q3CSM,
NE24905,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.681g/mol |
| Monoisotopic Mass | 215.083g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 81.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number