AH-9700
(E)-but-2-enedioic acid;1-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]pyrrolidine
Also Known As: AH-9700 fumarate|AH-9700|Pyrrolidine, 1-(2-(3,4-dihydro-6,7-dimethyl-2-naphthalenyl)ethyl)-, (2E)-2-butenedioate (1:1)|(E)-but-2-enedioic acid;1-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]pyrrolidine|1-(2-(3,4-dihydro-6,7-dimethyl-2-naphthalenyl)ethyl) pyrrolidine fumarate|IUPAC: But-2-enedioic Acid; 1-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]pyrrolidine
| Molecular Formula | C22H29NO4 |
|---|---|
| Molecular Weight | 371.20966 g/mol |
| LogP | 3.83074 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.20966 |
| Monoisotopic Mass | 371.20966 |
| Heavy Atoms | 27 |
| Complexity | 726.9248 |
Chemical Identifiers
| CAS Number | 337359-08-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)C=C(CC2)CCN3CCCC3.C(=C/C(=O)O)\C(=O)O |
Product Overview
AH-9700 (CAS 337359-08-7), with molecular formula C22H29NO4 and molecular weight 371.20966 g/mol. IUPAC: (E)-but-2-enedioic acid;1-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]pyrrolidine.
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