| CAS Number | 857583-50-7 |
| Catalog Number | AG01BHL0(AGN-PC-0V26WU) |
| Chemical Name | 4-amino-N-propylbenzamide hydrochloride |
| IUPAC Name | 4-amino-N-propylbenzamide;hydrochloride |
| InChI | InChI=1S/C10H14N2O.ClH/c1-2-7-12-10(13)8-3-5-9(11)6-4-8;/h3-6H,2,7,11H2,1H3,(H,12,13);1H |
| InChI Key | WKFRANMQMYLQCA-UHFFFAOYSA-N |
| MDL Number | MFCD13409697 |
| Molecular Formula | C10H15ClN2O |
| Molecular Weight | 214.6919 |
| NSC Number | 235779 |
| SMILES | Cl.CCCNC(C1=CC=C(N)C=C1)=O |
| Synonyms | 4-amino-N-propylbenzamide hydrochloride,
857583-50-7,
SCHEMBL5921713,
WKFRANMQMYLQCA-UHFFFAOYSA-N,
NSC235779,
MCULE-5815494986,
NSC-235779,
4-aminobenzoic acid-N-propylamide hydrochloride,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.693g/mol |
| Monoisotopic Mass | 214.087g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number