Piperazinium, 1-methyl-1,4-bis[2-[(1-oxooctadecyl)oxy]ethyl]-, methyl sulfate (1:1)
Basic information
- CAS
65060-32-4- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCN1CC[N+](C)(CCOC(=O)CCCCCCCCCCCCCCCC)CC1.COS(=O)(=O)[O-]- InChIKey
XKYWUTBVNFOCBP-UHFFFAOYSA-M- Molecular formula
- C45H90N2O8S
- Average molar mass
- 819.3 g/mol
- Monoisotopic mass
- 818.64178901
Names & identifiers
- Preferred name
- Piperazinium, 1-methyl-1,4-bis[2-[(1-oxooctadecyl)oxy]ethyl]-, methyl sulfate (1:1)
- IUPAC
- 2-[4-(2-heptadecanoyloxyethyl)-4-methylpiperazin-4-ium-1-yl]ethyl octadecanoate;methyl sulfate
Names & synonyms
EINECS 265-358-4Piperazinium, 1-methyl-1,4-bis(2-(stearoyloxy)ethyl)-, methyl sulfatePiperazinium, 1-methyl-1,4-bis(2-((1-oxooctadecyl)oxy)ethyl)-, methyl sulfatePiperazinium, 1-methyl-1,4-bis(2-((1-oxooctadecyl)oxy)ethyl)-, methyl sulfate (1:1)Piperazinium, 1-methyl-1,4-bis[2-[(1-oxooctadecyl)oxy]ethyl]-, methyl sulfate (1:1)RefChem:86347765060-32-41-Methyl-1,4-bis(2-((1-oxooctadecyl)oxy)ethyl)piperazinium methyl sulphate
Database identifiers
- CAS
65060-32-4- PubChem CID
- 103121
- EC Number
- 265-358-4
Properties
Computed structural properties
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 39
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 843
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPiperazinium, 1-methyl-1,4-bis[2-[(1-oxooctadecyl)oxy]ethyl]-, methyl sulfate (1:1): INACTIVE
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Compound notes
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