| CAS Number | 1269053-56-6 |
| Catalog Number | AG00J1SO |
| Chemical Name | N~1~-(2,4-dimethylphenyl)-beta-alaninamide hydrochloride |
| IUPAC Name | 3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride |
| InChI | InChI=1S/C11H16N2O.ClH/c1-8-3-4-10(9(2)7-8)13-11(14)5-6-12;/h3-4,7H,5-6,12H2,1-2H3,(H,13,14);1H |
| InChI Key | NCPRNNMKIXEMQW-UHFFFAOYSA-N |
| MDL Number | MFCD13194010 |
| Molecular Formula | C11H17ClN2O |
| Molecular Weight | 228.7185 |
| SMILES | N(C(=O)CCN)C1C=CC(=CC=1C)C.Cl |
| Synonyms | N~1~-(2,4-dimethylphenyl)-beta-alaninamide hydrochloride,
1269053-56-6,
938515-49-2,
ZX-CM006120,
MFCD13194010,
MCULE-9000706039,
N1-(2,4-Dimethylphenyl)-beta-alaninamide hydrochloride,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.72g/mol |
| Monoisotopic Mass | 228.103g/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