| CAS Number | 1803588-44-4 |
| Catalog Number | AG01BFM1(AGN-PC-0WOUKS) |
| Chemical Name | methyl 5-[(methylamino)methyl]furan-2-carboxylate hydrochloride |
| IUPAC Name | methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride |
| InChI | InChI=1S/C8H11NO3.ClH/c1-9-5-6-3-4-7(12-6)8(10)11-2;/h3-4,9H,5H2,1-2H3;1H |
| InChI Key | OSWDIEIVJJMNEQ-UHFFFAOYSA-N |
| MDL Number | MFCD28118642 |
| Molecular Formula | C8H12ClNO3 |
| Molecular Weight | 205.6388 |
| SMILES | Cl.CNCC1OC(C(OC)=O)=CC=1 |
| Synonyms | methyl 5-[(methylamino)methyl]furan-2-carboxylate hydrochloride,
1803588-44-4,
AKOS026743880,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.638g/mol |
| Monoisotopic Mass | 205.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number