AC1L8UL5
3-imino-1,7-dimethyl-5-propan-2-yl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Also Known As: Oprea1_111211|NCI60_029310|3-Imino-5-isopropyl-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile|2-imino-6-isopropyl-4,8-dimethyl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile|3-imino-1,7-dimethyl-5-(propan-2-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile|3-imino-1,7-dimethyl-5-propan-2-yl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile|3-Imino-5-(1-methylethyl)-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
| Molecular Formula | C14H16N4O2 |
|---|---|
| Molecular Weight | 272.12732 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.12732 |
| Monoisotopic Mass | 272.12732 |
| Heavy Atoms | 20 |
| Complexity | 611.0 |
Chemical Identifiers
| CAS Number | 95059-16-8 |
|---|---|
| SMILES | CC1C2(OC(C(C1(C#N)C#N)(C(=N)O2)C#N)C(C)C)C |
| InChIKey | YFTCCNUPLDVNDH-UHFFFAOYSA-N |
Product Overview
AC1L8UL5 (CAS 95059-16-8), with molecular formula C14H16N4O2 and molecular weight 272.12732 g/mol. IUPAC: 3-imino-1,7-dimethyl-5-propan-2-yl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile.
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