| CAS Number | 1215711-91-3 |
| Catalog Number | AG0015AW(AGN-PC-07Y46V) |
| Chemical Name | AMK (hydrochloride) |
| IUPAC Name | N-[3-(2-amino-5-methoxyphenyl)-3-oxopropyl]acetamide;hydrochloride |
| InChI | InChI=1S/C12H16N2O3.ClH/c1-8(15)14-6-5-12(16)10-7-9(17-2)3-4-11(10)13;/h3-4,7H,5-6,13H2,1-2H3,(H,14,15);1H |
| InChI Key | JMBYMENFYWCJRD-UHFFFAOYSA-N |
| MDL Number | MFCD02683244 |
| Molecular Formula | C12H17ClN2O3 |
| Molecular Weight | 272.7280 |
| SMILES | O=C(C)NCCC(C1=CC(OC)=CC=C1N)=O.Cl |
| Synonyms | 1215711-91-3,
N-gamma-Acetyl-5-methoxykynurenamine Hydrochloride,
N-|A-Acetyl-5-methoxykynurenamine Hydrochloride,
CTK8E8846,
DTXSID00675530,
AKOS030255924,
AB12518,
RT-017496,
FT-0661291,
N- -Acetyl-5-methoxykynurenamine Hydrochloride,
J-004535,
N-?-ACETYL-5-METHOXYKYNURENAMINE HYDROCHLORIDE,
N-[3-(2-amino-5-methoxyphenyl)-3-oxopropyl]acetamide hydrochloride,
N-[3-(2-Amino-5-methoxyphenyl)-3-oxopropyl]acetamide--hydrogen chloride (1/1),
N-ACETYL-5-METHOXYKYNURENAMINE, HYDROCHLORIDE,
52450-39-2,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.729g/mol |
| Monoisotopic Mass | 272.093g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number