| CAS Number | 1185300-64-4 |
| Catalog Number | AG009OCW(AGN-PC-0WB7PI) |
| Chemical Name | 5-Dimethylaminomethyl-furan-2-carboxylic acid hydrochloride |
| IUPAC Name | 5-[(dimethylamino)methyl]furan-2-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C8H11NO3.ClH/c1-9(2)5-6-3-4-7(12-6)8(10)11;/h3-4H,5H2,1-2H3,(H,10,11);1H |
| InChI Key | BQXSVTZUYFPXSW-UHFFFAOYSA-N |
| MDL Number | MFCD06800602 |
| Molecular Formula | C8H12ClNO3 |
| Molecular Weight | 205.6388 |
| SMILES | O=C(O)C1=CC=C(CN(C)C)O1.[H]Cl |
| Synonyms | 1185300-64-4,
5-DIMETHYLAMINOMETHYL-FURAN-2-CARBOXYLIC ACID HYDROCHLORIDE,
5-[(Dimethylamino)methyl]-2-furoic acid hydrochloride,
5-[(dimethylamino)methyl]furan-2-carboxylic acid hydrochloride,
5-((Dimethylamino)methyl)furan-2-carboxylic acid hydrochloride,
CTK6I0367,
DTXSID90662959,
ZX-CM017205,
0399AD,
MFCD06800602,
AKOS015845773,
TR-040660,
Z2805877175,
5-[(Dimethylamino)methyl]furan-2-carboxylic acid--hydrogen chloride (1/1),
C8H12ClNO3,
86649-59-4,
|
| Complexity | 170 |
| 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 | 3 |
| 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