| CAS Number | 1251923-41-7 |
| Catalog Number | AG01AA7F |
| Chemical Name | 3-(aminomethyl)-N-tert-butylbenzamide hydrochloride |
| IUPAC Name | 3-(aminomethyl)-N-tert-butylbenzamide;hydrochloride |
| InChI | InChI=1S/C12H18N2O.ClH/c1-12(2,3)14-11(15)10-6-4-5-9(7-10)8-13;/h4-7H,8,13H2,1-3H3,(H,14,15);1H |
| InChI Key | LXXFYJLICCXMPI-UHFFFAOYSA-N |
| MDL Number | MFCD16990653 |
| Molecular Formula | C12H19ClN2O |
| Molecular Weight | 242.7451 |
| SMILES | Cl.CC(NC(C1=CC(CN)=CC=C1)=O)(C)C |
| Synonyms | 3-(aminomethyl)-N-tert-butylbenzamide hydrochloride,
1251923-41-7,
AC1Q38ZB,
NE50736,
EN300-67327,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.747g/mol |
| Monoisotopic Mass | 242.119g/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