Basic information
- CAS
67633-55-0- Standard SMILES
CCOS(=O)(=O)[O-].CC[N+](CCC#N)(CCNC(=O)CCCCCCCCCCCCCCC(C)C)CCNC(=O)CCCCCCCCCCCCCCC(C)C- InChIKey
GSNFTCRINXHQCG-UHFFFAOYSA-N- Molecular formula
- C47H94N4O6S
- Average molar mass
- 843.3 g/mol
- Monoisotopic mass
- 842.6894079
Names & identifiers
- Preferred name
- Ethanaminium, 2-cyano-N-ethyl-N,N-bis(2-((1-oxoisooctadecyl)amino)ethyl)-, ethyl sulfate (1:1)
- IUPAC
- 2-cyanoethyl-ethyl-bis[2-(16-methylheptadecanoylamino)ethyl]azanium;ethyl sulfate
Names & synonyms
Ethanaminium, 2-cyano-N-ethyl-N,N-bis[2-[(1-oxoisooctadecyl)amino]ethyl]-, ethyl sulfateDTXSID4070530N,N-Bis(ethylisostearamide)-N-cyanoethyl-N-ethylammonium ethosulfateEthanaminium, 2-cyano-N-ethyl-N,N-bis(2-((1-oxoisooctadecyl)amino)ethyl)-, ethyl sulfateEthanaminium, 2-cyano-N-ethyl-N,N-bis(2-((1-oxoisooctadecyl)amino)ethyl)-, ethyl sulfate (1:1)Ethanaminium, 2-cyano-N-ethyl-N,N-bis[2-[(1-oxoisooctadecyl)amino]ethyl]-, ethyl sulfate (1:1)RefChem:138061DTXCID104493867633-55-02-Cyano-N-ethyl-N,N-bis[2-(16-methylheptadecanamido)ethyl]ethan-1-aminium ethyl sulfate
Database identifiers
- CAS
67633-55-0- PubChem CID
- 105484
- DTXSID
DTXSID4070530
Properties
Computed structural properties
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 40
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 883
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanaminium, 2-cyano-N-ethyl-N,N-bis[2-[(1-oxoisooctadecyl)amino]ethyl]-, ethyl sulfate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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