methyl 4-amino-3-methyloxane-3-carboxylate hydrochloride - CAS 910332-91-1
Catalog: |
BB040026 |
Product Name: |
methyl 4-amino-3-methyloxane-3-carboxylate hydrochloride |
CAS: |
910332-91-1 |
Synonyms: |
4-amino-3-methyl-3-oxanecarboxylic acid methyl ester;hydrochloride; methyl 4-amino-3-methyloxane-3-carboxylate;hydrochloride |
IUPAC Name: | methyl 4-amino-3-methyloxane-3-carboxylate;hydrochloride |
Description: | methyl 4-amino-3-methyloxane-3-carboxylate hydrochloride (CAS# 910332-91-1 ) is a useful research chemical. |
Molecular Weight: | 209.67 |
Molecular Formula: | C8H16ClNO3 |
Canonical SMILES: | CC1(COCCC1N)C(=O)OC.Cl |
InChI: | InChI=1S/C8H15NO3.ClH/c1-8(7(10)11-2)5-12-4-3-6(8)9;/h6H,3-5,9H2,1-2H3;1H |
InChI Key: | KAXOWXMZLFKTDL-UHFFFAOYSA-N |
LogP: | 1.41560 |
Publication Number | Title | Priority Date |
US-2006211730-A1 | Beta-sulfonamide hydroxamic acid inhibitors of tace/matrix metalloproteinase | 20050321 |
US-7595327-B2 | Beta-sulfonamide hydroxamic acid inhibitors of tace/matrix metalloproteinase | 20050321 |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.0818711 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.0818711 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 61.6 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
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