AC1O5PAD
(E)-but-2-enedioic acid;3-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)-N,N-dimethylpropan-1-amine
Also Known As: 3-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethylpropylamine fumarate|Propylamine, 3-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethyl-, fumarate (1:1)|(e)-but-2-enedioic Acid,3-(6,11-dihydrobenzo[c][1]benzothiep|(E)-but-2-enedioic acid; 3-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)-N,N-dimethylpropan-1-amine
CAS: 861-47-2
| Molecular Formula | C23H27NO5S |
|---|---|
| Molecular Weight | 429.16098 g/mol |
| LogP | 4.0618 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.16098 |
| Monoisotopic Mass | 429.16098 |
| Heavy Atoms | 30 |
| Complexity | 817.9021 |
Chemical Identifiers
| CAS Number | 861-47-2 |
|---|---|
| SMILES | CN(C)CCCOC1C2=CC=CC=C2CSC3=CC=CC=C13.C(=C/C(=O)O)\C(=O)O |
Product Overview
AC1O5PAD (CAS 861-47-2), with molecular formula C23H27NO5S and molecular weight 429.16098 g/mol. IUPAC: (E)-but-2-enedioic acid;3-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)-N,N-dimethylpropan-1-amine.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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