2-Heptadecyl-1-methyl-1-(2-stearamidoethyl)-2-imidazolinium methyl sulfate
Basic information
- CAS
13470-50-3- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC[N+]1(C)CCN=C1CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]- InChIKey
IOIXBUJAKFHCBU-UHFFFAOYSA-N- Molecular formula
- C42H85N3O5S
- Average molar mass
- 744.2 g/mol
- Monoisotopic mass
- 743.62099399
Names & identifiers
- Preferred name
- 2-Heptadecyl-1-methyl-1-(2-stearamidoethyl)-2-imidazolinium methyl sulfate
- IUPAC
- N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide;methyl sulfate
Names & synonyms
Culversoft S 75Culsoft S 7513470-50-33GUS7X7SY62-Heptadecyl-1-methyl-1-(2-stearamidoethyl)-2-imidazolinium methyl sulfate2-Imidazolinium, 2-heptadecyl-1-methyl-1-(2-stearamidoethyl)-, methyl sulfate2-Heptadecyl-1-methyl-1-(stearylaminoethyl)-2-imidazolinium methosulfateCaswell No. 4751H-Imidazolium, 2-heptadecyl-4,5-dihydro-1-methyl-1-(2-((1-oxooctadecyl)amino)ethyl)-, methyl sulfateEINECS 236-738-7UNII-3GUS7X7SY6EPA Pesticide Chemical Code 046619
Show more names
2-Heptadecyl-1-methyl-1-(octadecanamidoethyl)imidazolinium methosulfate2-Heptadecyl-1-methyl-1-(2-(stearoylamido)ethyl)-2-imidazolinium methyl sulfate1H-Imidazolium, 4,5-dihydro-2-heptadecyl-1-methyl-1-(2-((1-oxooctadecyl)amino)ethyl)-, methyl sulfateSCHEMBL5697405DTXSID708949332-Heptadecyl-4,5-dihydro-1-methyl-1-(2-((1-oxooctadecyl)amino)ethyl)-1-H-imidazolium methyl sulphateNS00120163Q27257190
Database identifiers
- CAS
13470-50-3、93922-67-9- PubChem CID
- 61624
- DTXSID
DTXSID70894933- UNII
- 3GUS7X7SY6
Properties
Computed structural properties
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 35
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 768
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Compound notes
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