Basic information
- CAS
94313-70-9- Standard SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O.OCCN(CCO)CCO- InChIKey
XUBSENCNBRNSCL-AFEZEDKISA-N- Molecular formula
- C30H57NO9
- Average molar mass
- 575.8 g/mol
- Monoisotopic mass
- 575.4033324
Names & identifiers
- Preferred name
- Einecs 304-968-8
- IUPAC
- 2-[bis(2-hydroxyethyl)amino]ethanol;2-[2-[(Z)-octadec-9-enoyl]oxypropanoyloxy]propanoic acid
Names & synonyms
EINECS 304-968-894313-70-92-(1-Carboxyethoxy)-1-methyl-2-oxoethyl oleate, compound with 2,2',2''-nitrilotriethanol (1:1)NS00093201
Database identifiers
- CAS
94313-70-9- PubChem CID
- 44151007
- EC Number
- 304-968-8
Properties
Computed structural properties
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 27
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 556
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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