1-Propanaminium, N-ethyl-N,N-dimethyl-3-[(1-oxopropyl)amino]-, ethyl sulfate (1:1)
Basic information
- CAS
68083-52-3- Standard SMILES
CCC(=O)NCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-]- InChIKey
ATKRYJRIFWSIMN-UHFFFAOYSA-N- Molecular formula
- C12H28N2O5S
- Average molar mass
- 312.43 g/mol
- Monoisotopic mass
- 312.17189317
Names & identifiers
- Preferred name
- 1-Propanaminium, N-ethyl-N,N-dimethyl-3-[(1-oxopropyl)amino]-, ethyl sulfate (1:1)
- IUPAC
- ethyl-dimethyl-[3-(propanoylamino)propyl]azanium;ethyl sulfate
Names & synonyms
EINECS 268-401-568083-52-31-Propanaminium, N-ethyl-N,N-dimethyl-3-[(1-oxopropyl)amino]-, ethyl sulfateDTXSID30710621-Propanaminium, N-ethyl-N,N-dimethyl-3-((1-oxopropyl)amino)-, ethyl sulfate1-Propanaminium, N-ethyl-N,N-dimethyl-3-((1-oxopropyl)amino)-, ethyl sulfate (1:1)1-Propanaminium, N-ethyl-N,N-dimethyl-3-[(1-oxopropyl)amino]-, ethyl sulfate (1:1)RefChem:77113DTXCID7045495Ethyldimethyl(3-((1-oxopropyl)amino)propyl)ammonium ethyl sulphateNS00064537N-Ethyl-N,N-dimethyl-3-propanamidopropan-1-aminium ethyl sulfate
Database identifiers
- CAS
68083-52-3- PubChem CID
- 106519
- DTXSID
DTXSID3071062- EC Number
- 268-401-5
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 259
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanaminium, N-ethyl-N,N-dimethyl-3-[(1-oxopropyl)amino]-, ethyl sulfate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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