2-[Bis(2-hydroxyethyl)amino]ethanol;octadecyl 2-methylprop-2-enoate;prop-2-enoic acid
Basic information
- CAS
167078-19-5- Standard SMILES
C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC.C=CC(=O)O.OCCN(CCO)CCO- InChIKey
IOHCPMDUVUSFNZ-UHFFFAOYSA-N- Molecular formula
- C31H61NO7
- Average molar mass
- 559.8 g/mol
- Monoisotopic mass
- 559.44480328
Names & identifiers
- Preferred name
- 2-[Bis(2-hydroxyethyl)amino]ethanol;octadecyl 2-methylprop-2-enoate;prop-2-enoic acid
- IUPAC
- 2-[bis(2-hydroxyethyl)amino]ethanol;octadecyl 2-methylprop-2-enoate;prop-2-enoic acid
Database identifiers
- CAS
167078-19-5- PubChem CID
- 44145342
Properties
Computed structural properties
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 26
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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