1,2-Ethanediamine bis(3-(3,4,5-trimethoxyphenyl)-2-propenoate)
Basic information
- CAS
110326-33-5- Standard SMILES
COc1cc(/C=C/C(=O)O)cc(OC)c1OC.COc1cc(/C=C/C(=O)O)cc(OC)c1OC.NCCN- InChIKey
PQQGLPCUWGYXJZ-WDTNTSJCSA-N- Molecular formula
- C26H36N2O10
- Average molar mass
- 536.6 g/mol
- Monoisotopic mass
- 536.23699535
Names & identifiers
- Preferred name
- 1,2-Ethanediamine bis(3-(3,4,5-trimethoxyphenyl)-2-propenoate)
- IUPAC
- ethane-1,2-diamine;bis((E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid)
Names & synonyms
CCRIS 3895110326-33-51,2-Ethanediamine bis(3-(3,4,5-trimethoxyphenyl)-2-propenoate)68023703UN1,2-Ethanediamine, bis(3-(3,4,5-trimethoxyphenyl)-2-propenoate)UNII-68023703UN1,2-ETHANEDIAMINE, BIS[3-(3,4,5-TRIMETHOXYPHENYL)-2-PROPENOATE]Q27264179
Database identifiers
- CAS
110326-33-5- PubChem CID
- 6440322
- UNII
- 68023703UN
Properties
Computed structural properties
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 268
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Compound notes
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