2-{9,11-diethyl-6,11-dimethyl-2-oxo-1-azatricyclo[6.3.1.0⁴,¹²]dodeca-4,6,8(12),9-tetraen-3-ylidene}propanedinitrile
Structure Info
- Chemspace ID
- CSSB00020598079 (In-Stock Building Blocks)
- MFCD
- MFCD06599384
- IUPAC Name
- 2-{9,11-diethyl-6,11-dimethyl-2-oxo-1-azatricyclo[6.3.1.0⁴,¹²]dodeca-4,6,8(12),9-tetraen-3-ylidene}propanedinitrile
- Mol formula
- C20H19N3O
- Mol weight
- 317 Da
- Catalog Number(s)
- 065873, AA018WMH, AGN-PC-0WC7MJ, AGNPC-0WC7MJ, ALBB-016858, AU95045, ArZ-UP156293, BB12-3763, BD00862859, CS-0326402, CSC020598079, FD125533, H31754, HY-W281316, JH901479, LN00168191, LS-05294, OSSL_721434, PBMR150825, ST018Y61, STK596440, STOCK5S-38410, TX018XUX, Y4188894, Y6391972, ZX-IP090775
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.83
- Heavy atoms count
- 24
- Rotatable bond count
- 2
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.35
- Polar surface area (Å)
- 68
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
![Chemical structure of 2-{9,11-diethyl-6,11-dimethyl-2-oxo-1-azatricyclo[6.3.1.0⁴,¹²]dodeca-4,6,8(12),9-tetraen-3-ylidene}propanedinitrile (C20H19N3O) - CSSB00020598079](/st/structure/200/2e36c6eceb6cab8204c6559ab250347b/CCC1%253DCC%2528C%2529%2528CC%2529N2C%2528%253DO%2529C%2528%253DC%2528C%2523N%2529C%2523N%2529C3%253DCC%2528C%2529%253DCC1%253DC23.png "C20H19N3O")
- Zoom the structure
- CSSB00020598079
Items Overall 2 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| 1st Scientific LLC | 14 days | United States To: | 95 | 500 mg | 412.50 | |
| 1st Scientific LLC | 14 days | United States To: | 95 | 1 g | 433.40 | |
Description: (4,6-Diethyl-4,8-dimethyl-2-oxo-4h-pyrrolo[3,2,1-ij]quinolin-1(2h)-ylidene)malononitrile; CAS: 774561-61-4 | ||||||
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