| CAS Number | 1955548-95-4 |
| Catalog Number | AG01B5MF |
| Chemical Name | Methyl 3-(aminomethyl)furan-2-carboxylate hydrochloride |
| IUPAC Name | methyl 3-(aminomethyl)furan-2-carboxylate;hydrochloride |
| InChI | InChI=1S/C7H9NO3.ClH/c1-10-7(9)6-5(4-8)2-3-11-6;/h2-3H,4,8H2,1H3;1H |
| InChI Key | KVDYUVUTFDYECN-UHFFFAOYSA-N |
| MDL Number | MFCD28125483 |
| Molecular Formula | C7H10ClNO3 |
| Molecular Weight | 191.6122 |
| SMILES | Cl.COC(C1=C(CN)C=CO1)=O |
| Synonyms | methyl 3-(aminomethyl)furan-2-carboxylate hydrochloride,
1955548-95-4,
MFCD28125483,
AKOS030234073,
3-Aminomethyl-furan-2-carboxylic acid methyl ester hydrochloride,
3-Aminomethyl-furan-2-carboxylic acid methyl ester; hydrochloride,
1154012-68-6,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.611g/mol |
| Monoisotopic Mass | 191.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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