RefChem:1098958
(Z)-but-2-enedioic acid;N-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethyl)ethanamine
Also Known As: 4'-(Ethylamino)methylspiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane) maleate|Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 4'-(ethylamino)methyl-, maleate|Spiro[5H-dibenzo[a,d]cycloheptene-5,2'-[1,3]dioxolane]-4'-methanamine, N-ethyl-, (Z)-2-butenedioate (1:1)
| Molecular Formula | C24H25NO6 |
|---|---|
| Molecular Weight | 423.16818 g/mol |
| LogP | 3.1082 |
| Topological Polar Surface Area | 105.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.16818 |
| Monoisotopic Mass | 423.16818 |
| Heavy Atoms | 31 |
| Complexity | 931.569 |
Chemical Identifiers
| CAS Number | 52467-35-3 |
|---|---|
| SMILES | CCNCC1COC2(O1)C3=CC=CC=C3C=CC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1098958 (CAS 52467-35-3), with molecular formula C24H25NO6 and molecular weight 423.16818 g/mol. IUPAC: (Z)-but-2-enedioic acid;N-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethyl)ethanamine.
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