1-Propanaminium, N-ethyl-N,N-dimethyl-3-[(1-oxononyl)amino]-, ethyl sulfate (1:1)
Basic information
- CAS
61886-48-4- Standard SMILES
CCCCCCCCC(=O)NCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-]- InChIKey
ZIUNFPOGTUSDFY-UHFFFAOYSA-N- Molecular formula
- C18H40N2O5S
- Average molar mass
- 396.6 g/mol
- Monoisotopic mass
- 396.26579355
Names & identifiers
- Preferred name
- 1-Propanaminium, N-ethyl-N,N-dimethyl-3-[(1-oxononyl)amino]-, ethyl sulfate (1:1)
- IUPAC
- ethyl-dimethyl-[3-(nonanoylamino)propyl]azanium;ethyl sulfate
Names & synonyms
61886-48-4Isononamidopropyl ethyldimonium ethosulfateN-Ethyl-N,N-dimethyl-3-((1-oxononyl)amino)-1-propanaminium ethyl sulfateNonanoic acid, 3-(dimethylamino)propylamide, quaternized with diethyl sulfateIsononamidopropyl ethyldimethylammonium ethosulfate1-Propanaminium, N-ethyl-N,N-dimethyl-3-((1-oxononyl)amino)-, ethyl sulfate (1:1)1-Propanaminium, N-ethyl-N,N-dimethyl-3-[(1-oxononyl)amino]-, ethyl sulfate (1:1)RefChem:2345711-Propanaminium, N-ethyl-N,N-dimethyl-3-[(1-oxononyl)amino]-, ethyl sulfate1-Propanaminium, N-ethyl-N,N-dimethyl-3-((1-oxononyl)amino)-, ethyl sulfateDTXSID7069520ethyl-dimethyl-[3-(nonanoylamino)propyl]azanium;ethyl sulfate
Show more names
N-Ethyl-N,N-dimethyl-3-nonanamidopropan-1-aminium ethyl sulfate
Database identifiers
- CAS
61886-48-4- PubChem CID
- 112767
- DTXSID
DTXSID7069520
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 331
Experimental & physicochemical properties
CosmeticsAntistatic
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Antistatic
General Manufacturing Information1-Propanaminium, N-ethyl-N,N-dimethyl-3-[(1-oxononyl)amino]-, ethyl sulfate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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