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| Name | (1beta,3beta,5beta)-9-Methyl-9-Azabicyclo[3.3.1]Nonan-3-Ol |
|---|---|
| Synonyms | 3-(Methylthio)-6-(2,4,6-Trimethoxyphenyl)-6,7-Dihydro-[1,2,4]Triazino[5,6-D][3,1]Benzoxazepine; Oprea1_079530; Eu-0046594 |
| Molecular Structure | ![CAS#: 6376-00-7, (1beta,3beta,5beta)-9-Methyl-9-Azabicyclo[3.3.1]Nonan-3-Ol](/moreStructures/6376-00-7.gif) |
| Molecular Formula | C20H20N4O4S |
| Molecular Weight | 412.46 |
| CAS Registry Number | 6376-00-7 |
| SMILES | C1=CC=CC2=C1C4=C(OC(N2)C3=C(OC)C=C(OC)C=C3OC)N=C(SC)N=N4 |
| InChI | 1S/C20H20N4O4S/c1-25-11-9-14(26-2)16(15(10-11)27-3)18-21-13-8-6-5-7-12(13)17-19(28-18)22-20(29-4)24-23-17/h5-10,18,21H,1-4H3 |
| InChIKey | NPGOEIZCXRECDZ-UHFFFAOYSA-N |
| Density | 1.398g/cm3 (Cal.) |
|---|---|
| Boiling point | 670.24°C at 760 mmHg (Cal.) |
| Flash point | 359.148°C (Cal.) |
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