N'-(2-aminoethyl)ethane-1,2-diamine;diethyl sulfate;octadecanoic acid
Basic information
- CAS
68585-05-7- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)O.CCOS(=O)(=O)OCC.NCCNCCN- InChIKey
LLEYLGZUGQRTTQ-UHFFFAOYSA-N- Molecular formula
- C26H59N3O6S
- Average molar mass
- 541.8 g/mol
- Monoisotopic mass
- 541.41245778
Names & identifiers
- Preferred name
- N'-(2-aminoethyl)ethane-1,2-diamine;diethyl sulfate;octadecanoic acid
- IUPAC
- N'-(2-aminoethyl)ethane-1,2-diamine;diethyl sulfate;octadecanoic acid
Database identifiers
- CAS
68585-05-7- PubChem CID
- 172255
Properties
Computed structural properties
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 24
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 358
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Compound notes
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