Basic information
- CAS
95541-96-1- Standard SMILES
CCCSCC(C)C1(C)OCC(COCN(CC)CC)O1- InChIKey
DEUXYGSFWMHWSI-UHFFFAOYSA-N- Molecular formula
- C16H33NO3S
- Average molar mass
- 319.5 g/mol
- Monoisotopic mass
- 319.21811509
Names & identifiers
- Preferred name
- Ethanamine, N-ethyl-N-(((2-methyl-2-(1-methyl-2-(propylthio)ethyl)-1,3-dioxolan-4-yl)methoxy)methyl)-
- IUPAC
- N-ethyl-N-[[2-methyl-2-(1-propylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]methoxymethyl]ethanamine
Names & synonyms
BRN 552251195541-96-1Ethanamine, N-ethyl-N-(((2-methyl-2-(1-methyl-2-(propylthio)ethyl)-1,3-dioxolan-4-yl)methoxy)methyl)-2-Methyl-2-(1-methyl-2-(propylthio)ethyl-4-diethylaminomethoxymethyl)-1,3-dioxolaneRefChem:339903DTXSID60914937N-Ethyl-N-[({2-methyl-2-[1-(propylsulfanyl)propan-2-yl]-1,3-dioxolan-4-yl}methoxy)methyl]ethanamine
Database identifiers
- CAS
95541-96-1- PubChem CID
- 56945
- DTXSID
DTXSID60914937
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 276
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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