| CAS Number | 152535-09-6 |
| Catalog Number | AG01A8LT |
| Chemical Name | N-(2-aminoethyl)-3-bromobenzamide hydrochloride |
| IUPAC Name | N-(2-aminoethyl)-3-bromobenzamide;hydrochloride |
| InChI | InChI=1S/C9H11BrN2O.ClH/c10-8-3-1-2-7(6-8)9(13)12-5-4-11;/h1-3,6H,4-5,11H2,(H,12,13);1H |
| InChI Key | YQHCMHXWVOIYDD-UHFFFAOYSA-N |
| MDL Number | MFCD16040109 |
| Molecular Formula | C9H12BrClN2O |
| Molecular Weight | 279.5614 |
| SMILES | Cl.NCCNC(C1=CC(Br)=CC=C1)=O |
| Synonyms | N-(2-aminoethyl)-3-bromobenzamide hydrochloride,
152535-09-6,
AC1Q3DDJ,
MCULE-4269453709,
NE22533,
EN300-61953,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.562g/mol |
| Monoisotopic Mass | 277.982g/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