| CAS Number | 1158487-38-7 |
| Catalog Number | AG00J3S2 |
| Chemical Name | 5-[(diethylamino)methyl]-2-methyl-3-furoic acid hydrochloride |
| IUPAC Name | 5-(diethylaminomethyl)-2-methylfuran-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C11H17NO3.ClH/c1-4-12(5-2)7-9-6-10(11(13)14)8(3)15-9;/h6H,4-5,7H2,1-3H3,(H,13,14);1H |
| InChI Key | IGRYXWXFRJUXMP-UHFFFAOYSA-N |
| MDL Number | MFCD03160820 |
| Molecular Formula | C11H18ClNO3 |
| Molecular Weight | 247.7185 |
| SMILES | C1(C(O)=O)C=C(OC=1C)CN(CC)CC.Cl |
| Synonyms | 5-[(Diethylamino)methyl]-2-methyl-3-furoic acid hydrochloride,
1158487-38-7,
ZX-CM016433,
MFCD03160820,
296274-15-2,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.719g/mol |
| Monoisotopic Mass | 247.098g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 53.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number