| CAS Number | 1052546-53-8 |
| Catalog Number | AG019PJD(AGN-PC-0WOSIG) |
| Chemical Name | methyl 2-methyl-5-[(methylamino)methyl]-3-furoate hydrochloride |
| IUPAC Name | methyl 2-methyl-5-(methylaminomethyl)furan-3-carboxylate;hydrochloride |
| InChI | InChI=1S/C9H13NO3.ClH/c1-6-8(9(11)12-3)4-7(13-6)5-10-2;/h4,10H,5H2,1-3H3;1H |
| InChI Key | JNNKAMJUTSEYQU-UHFFFAOYSA-N |
| MDL Number | MFCD07847636 |
| Molecular Formula | C9H14ClNO3 |
| Molecular Weight | 219.6654 |
| SMILES | Cl.CNCC1OC(C)=C(C(OC)=O)C=1 |
| Synonyms | 1052546-53-8,
methyl 2-methyl-5-[(methylamino)methyl]furan-3-carboxylate hydrochloride,
methyl 2-methyl-5-[(methylamino)methyl]-3-furoate hydrochloride,
AC1Q3BSR,
CTK6I5544,
AKOS026742480,
MCULE-2632812532,
NE61230,
EN300-23922,
Z168882424,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.665g/mol |
| Monoisotopic Mass | 219.066g/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