AC1ORURN
methyl 2-[[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]amino]-4,5-dimethoxybenzoate
Also Known As: methyl 2-{[(1Z)-2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]amino}-4,5-dimethoxybenzoate|(E)-methyl 2-((3-(butylamino)-2-cyano-3-oxoprop-1-en-1-yl)amino)-4,5-dimethoxybenzoate|methyl 2-[[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]amino]-4,5-dimethoxybenzoate
CAS: 899375-90-7
| Molecular Formula | C18H23N3O5 |
|---|---|
| Molecular Weight | 361.16376 g/mol |
| LogP | 2.22608 |
| Topological Polar Surface Area | 109.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 361.16376 |
| Monoisotopic Mass | 361.16376 |
| Heavy Atoms | 26 |
| Complexity | 722.27216 |
Chemical Identifiers
| CAS Number | 899375-90-7 |
|---|---|
| SMILES | CCCCNC(=O)/C(=C/NC1=CC(=C(C=C1C(=O)OC)OC)OC)/C#N |
Product Overview
AC1ORURN (CAS 899375-90-7), with molecular formula C18H23N3O5 and molecular weight 361.16376 g/mol. IUPAC: methyl 2-[[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]amino]-4,5-dimethoxybenzoate.
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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