| CAS Number | 67363-88-6 |
| Catalog Number | AG01EH9K(AGN-PC-0TO3LY) |
| Chemical Name | Methyl N-(3-methoxy-3-oxopropyl)-beta-alaninate hydrochloride |
| IUPAC Name | methyl 3-[(3-methoxy-3-oxopropyl)amino]propanoate;hydrochloride |
| InChI | InChI=1S/C8H15NO4.ClH/c1-12-7(10)3-5-9-6-4-8(11)13-2;/h9H,3-6H2,1-2H3;1H |
| InChI Key | XFYOAIAPAOULRR-UHFFFAOYSA-N |
| MDL Number | MFCD14705112 |
| Molecular Formula | C8H16ClNO4 |
| Molecular Weight | 225.6699 |
| SMILES | Cl.COC(=O)CCNCCC(=O)OC |
| Synonyms | 67363-88-6,
Methyl 3-[(3-methoxy-3-oxopropyl)amino]propanoate hydrochloride,
Methyl N-(3-methoxy-3-oxopropyl)-beta-alaninate hydrochloride,
AKOS030231352,
dimethyl iminodipropionate hydrochloride,
W-4662,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.669g/mol |
| Monoisotopic Mass | 225.077g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 64.6A^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