Basic information
- CAS
95541-95-0- Standard SMILES
CCSCC(C)C1(C)OCC(COCN(CC)CC)O1- InChIKey
GXIODGOVGNPWFG-UHFFFAOYSA-N- Molecular formula
- C15H31NO3S
- Average molar mass
- 305.5 g/mol
- Monoisotopic mass
- 305.20246502
Names & identifiers
- Preferred name
- Ethanamine, N-ethyl-N-((2-((2-(2-ethylthio)-1-methylethyl)-2-methyl-1,3-dioxolan-4-yl)methoxy)methyl)-
- IUPAC
- N-ethyl-N-[[2-(1-ethylsulfanylpropan-2-yl)-2-methyl-1,3-dioxolan-4-yl]methoxymethyl]ethanamine
Names & synonyms
BRN 55172702-Methyl-2-(1-methyl-2-ethylthioethyl)-4-dimethylaminomethoxymethyl-1,3-dioxolane95541-95-0Ethanamine, N-ethyl-N-((2-((2-(2-ethylthio)-1-methylethyl)-2-methyl-1,3-dioxolan-4-yl)methoxy)methyl)-RefChem:339904DTXSID20914938N-ethyl-N-[({2-[1-(ethylsulfanyl)propan-2-yl]-2-methyl-1,3-dioxolan-4-yl}methoxy)methyl]ethanamine
Database identifiers
- CAS
95541-95-0- PubChem CID
- 56944
- DTXSID
DTXSID20914938
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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