2-Butenedioic acid (2Z)-, 2-[[(9Z)-1-oxo-9-octadecen-1-yl]amino]ethyl ester
Basic information
- CAS
68511-29-5- Standard SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCCO.O=C(O)/C=C/C(=O)O- InChIKey
HOTJHMUERWBCEI-SJIDISLESA-N- Molecular formula
- C24H43NO6
- Average molar mass
- 441.6 g/mol
- Monoisotopic mass
- 441.30903809
Names & identifiers
- Preferred name
- 2-Butenedioic acid (2Z)-, 2-[[(9Z)-1-oxo-9-octadecen-1-yl]amino]ethyl ester
- IUPAC
- (E)-but-2-enedioic acid;(Z)-N-(2-hydroxyethyl)octadec-9-enamide
Names & synonyms
Mono(oleoylamidoethyl) maleateEINECS 270-936-4Oleic acid, monoethanolamide ester of maleic anhydride2-Butenedioic acid (2Z)-, 2-(((9Z)-1-oxo-9-octadecenyl)amino)ethyl ester2-Butenedioic acid (2Z)-, 2-(((9Z)-1-oxo-9-octadecen-1-yl)amino)ethyl esterDTXSID5010150652-Butenedioic acid (2Z)-, 2-[[(9Z)-1-oxo-9-octadecen-1-yl]amino]ethyl esterRefChem:85976DTXCID40147344468511-29-5HOTJHMUERWBCEI-SJIDISLESA-N2-Butenedioic acid (Z)-, (Z)-2-((1-oxo-9-octadecenyl)amino)ethyl ester
Database identifiers
- CAS
68511-29-5- PubChem CID
- 6437546
- EC Number
- 270-936-4
Properties
Computed structural properties
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 19
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 396
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Butenedioic acid (2Z)-, 2-[[(9Z)-1-oxo-9-octadecen-1-yl]amino]ethyl ester: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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