D 890
[4-cyano-5-methyl-4-(3,4,5-trimethoxyphenyl)hexyl]-[2-(3,4-dimethoxyphenyl)ethyl]-dimethylazanium
Also Known As: D 890|D-890|[4-cyano-5-methyl-4-(3,4,5-trimethoxyphenyl)hexyl]-[2-(3,4-dimethoxyphenyl)ethyl]-dimethylazanium|benzenebutanaminium, |A-cyano-n-(2-(3,4-dimethoxyphenyl)ethyl)-3,4,5-trimethoxy-n,n-dimethyl-|A-(1-methylethyl)-|[4-cyano-4-(propan-2-yl)-4-(3,4,5-trimethoxyphenyl)butyl][2-(3,4-dimethoxyphenyl)ethyl]dimethylazanium|4-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,N,5-trimethyl-4-(3,4,5-trimethoxyphenyl)hexan-1-aminium|Benzenebutanaminium, delta-cyano-N-(2-(3,4-dimethoxyphenyl)ethyl)-3,4,5-trimethoxy-N,N-dimethyl-delta-(1-methylethyl)-|delta-Cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4,5-trimethoxy-N,N-dimethyl-delta-(1-methylethyl)benzene-1-butanaminium
| Molecular Formula | C29H43N2O5+ |
|---|---|
| Molecular Weight | 499.3172 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 499.3172 |
| Monoisotopic Mass | 499.3172 |
| Heavy Atoms | 36 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 876-95-9 |
|---|---|
| SMILES | CC(C)C(CCC[N+](C)(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C(=C2)OC)OC)OC |
| InChIKey | IFTVVUGBOQTQJH-UHFFFAOYSA-N |
Product Overview
D 890 (CAS 876-95-9), with molecular formula C29H43N2O5+ and molecular weight 499.3172 g/mol. IUPAC: [4-cyano-5-methyl-4-(3,4,5-trimethoxyphenyl)hexyl]-[2-(3,4-dimethoxyphenyl)ethyl]-dimethylazanium.