Methyl-bis[2-(octadecanoylamino)ethyl]azanium;methyl sulfate
Basic information
- CAS
40196-09-6- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC[NH+](C)CCNC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]- InChIKey
VSMHHRXHWZOWQY-UHFFFAOYSA-N- Molecular formula
- C42H87N3O6S
- Average molar mass
- 762.2 g/mol
- Monoisotopic mass
- 761.63155868
Names & identifiers
- Preferred name
- Methyl-bis[2-(octadecanoylamino)ethyl]azanium;methyl sulfate
- IUPAC
- methyl-bis[2-(octadecanoylamino)ethyl]azanium;methyl sulfate
Names & synonyms
Methylbis(2-stearamidoethyl)ammonium methyl sulphate40196-09-6
Database identifiers
- CAS
40196-09-6- PubChem CID
- 3016166
- EC Number
- 254-833-1
Properties
Computed structural properties
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 38
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 666
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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