| CAS Number | 1803600-32-9 |
| Catalog Number | AG01ACSQ(AGN-PC-0WOUE2) |
| Chemical Name | methyl 4-aminobut-2-ynoate hydrochloride |
| IUPAC Name | methyl 4-aminobut-2-ynoate;hydrochloride |
| InChI | InChI=1S/C5H7NO2.ClH/c1-8-5(7)3-2-4-6;/h4,6H2,1H3;1H |
| InChI Key | YSICRGYVQZMOOO-UHFFFAOYSA-N |
| MDL Number | MFCD26936113 |
| Molecular Formula | C5H8ClNO2 |
| Molecular Weight | 149.5755 |
| SMILES | Cl.COC(C#CCN)=O |
| Synonyms | methyl 4-aminobut-2-ynoate hydrochloride,
1803600-32-9,
AKOS026743748,
NE59552,
EN300-140594,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.574g/mol |
| Monoisotopic Mass | 149.024g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number