Ethyl 4-(Aminomethyl)-2,5-dimethylfuran-3-carboxylate Hydrochloride - CAS 944467-99-6
Catalog: |
BB055992 |
Product Name: |
Ethyl 4-(Aminomethyl)-2,5-dimethylfuran-3-carboxylate Hydrochloride |
CAS: |
944467-99-6 |
Synonyms: |
ethyl 4-(aminomethyl)-2,5-dimethyl-3-furoate-Hydrochloride |
IUPAC Name: | ethyl 4-(aminomethyl)-2,5-dimethylfuran-3-carboxylatehydrochloride |
Description: | Ethyl 4-(Aminomethyl)-2,5-dimethylfuran-3-carboxylate Hydrochloride can be useful in the preparation of (aminomethyl)furancarboxylic acid derivatives via alkylation/quaternization with hexamethylenetetramine, Delphine amination of (haloalkyl)furancarboxylates and acidic hydrolysis. |
Molecular Weight: | 233.7 |
Molecular Formula: | C10H16ClNO3 |
Canonical SMILES: | CCOC(=O)C1=C(OC(=C1CN)C)C.Cl |
InChI: | InChI=1S/C10H15NO3.ClH/c1-4-13-10(12)9-7(3)14-6(2)8(9)5-11/h4-5,11H2,1-3H31H |
InChI Key: | KSMPMTAJHINNDS-UHFFFAOYSA-N |
References: | Lapina, I. M., et al. Russ. J. Gen. Chem., 76, 1304 (2006). |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.0818711 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.0818711 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 65.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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