| CAS Number | 227597-67-3 |
| Catalog Number | AG00BJ3Z |
| Chemical Name | Methyl 3-amino-3-(thiophen-2-yl)propanoate hydrochloride |
| IUPAC Name | methyl 3-amino-3-thiophen-2-ylpropanoate;hydrochloride |
| InChI | InChI=1S/C8H11NO2S.ClH/c1-11-8(10)5-6(9)7-3-2-4-12-7;/h2-4,6H,5,9H2,1H3;1H |
| InChI Key | YFWPBEFYLXWFPV-UHFFFAOYSA-N |
| MDL Number | MFCD09834092 |
| Molecular Formula | C8H12ClNO2S |
| Molecular Weight | 221.7044 |
| SMILES | Cl.COC(CC(C1SC=CC=1)N)=O |
| Synonyms | 227597-67-3,
methyl 3-amino-3-(thiophen-2-yl)propanoate hydrochloride,
methyl 3-amino-3-thien-2-ylpropanoate hydrochloride,
Methyl b-amino-2-thiophenepropanoate hydrochloride,
AC1Q3BXI,
CTK6J1791,
MFCD09834092,
MCULE-2083917803,
NE40695,
Methyl beta-amino-2-thiophenepropanoate HCl,
EN300-27632,
Z235354633,
Methyl b-amino-2-thiophenepropanoate HCl,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.699g/mol |
| Monoisotopic Mass | 221.028g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number