Basic information
- CAS
85409-69-4- Standard SMILES
CCCCCCCCCCCCN(CCO)CCO.CCCCCCCCCCCCOCCCN(CCO)C(=O)/C=C/C(=O)O.OCCN(CCO)CCO- InChIKey
QOARLSKUPGTUEH-QDBORUFSSA-N- Molecular formula
- C43H89N3O10
- Average molar mass
- 808.2 g/mol
- Monoisotopic mass
- 807.65479604
Names & identifiers
- Preferred name
- Einecs 287-139-2
- IUPAC
- 2-[bis(2-hydroxyethyl)amino]ethanol;(E)-4-[3-dodecoxypropyl(2-hydroxyethyl)amino]-4-oxobut-2-enoic acid;2-[dodecyl(2-hydroxyethyl)amino]ethanol
Names & synonyms
EINECS 287-139-285409-69-44-((3-(Dodecyloxy)propyl)(2-hydroxyethyl)amino)-4-oxobut-2-enoic acid, compound with 2,2'-(dodecylimino)diethanol and 2,2',2''-nitrilotriethanol
Database identifiers
- CAS
85409-69-4- PubChem CID
- 44153158
- EC Number
- 287-139-2
Properties
Computed structural properties
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 40
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 613
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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