| CAS Number | 646518-35-6 |
| Catalog Number | AG00IBEA(AGN-PC-0TDCUI) |
| Chemical Name | acetic acid; ethyl (4R,4aR,8aS)-decahydroisoquinoline-4-carboxylate |
| IUPAC Name | acetic acid;ethyl (4R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-4-carboxylate |
| InChI | InChI=1S/C12H21NO2.C2H4O2/c1-2-15-12(14)11-8-13-7-9-5-3-4-6-10(9)11;1-2(3)4/h9-11,13H,2-8H2,1H3;1H3,(H,3,4)/t9-,10-,11+;/m1./s1 |
| InChI Key | JTGYDIIAPFOIAF-NQHCQCOHSA-N |
| MDL Number | MFCD28390343 |
| Molecular Formula | C14H25NO4 |
| Molecular Weight | 271.3526 |
| SMILES | CC(O)=O.CCOC(=O)[C@H]1CNC[C@H]2CCCC[C@@H]12 |
| Synonyms | Racemic-(4R,4aR,8aS)-ethyl decahydroisoquinoline-4-carboxylate acetate,
646518-35-6,
CS-0036707,
Ethyl (4R,4aR,8aS)-decahydroisoquinoline-4-carboxylate acetate,
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| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.357g/mol |
| Monoisotopic Mass | 271.178g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number