3-Ethyl-1-methanesulfonylpiperidin-4-amine
Basic information
- CAS
1394042-88-6- Standard SMILES
CCC1CN(S(C)(=O)=O)CCC1N- InChIKey
BBRYFECEGOLZTG-UHFFFAOYSA-N- Molecular formula
- C8H18N2O2S
- Average molar mass
- 206.31 g/mol
- Monoisotopic mass
- 206.10889899
Names & identifiers
- Preferred name
- 3-Ethyl-1-methanesulfonylpiperidin-4-amine
- IUPAC
- 3-ethyl-1-methylsulfonylpiperidin-4-amine
- English name
- 3-ethyl-1-methanesulfonylpiperidin-4-amine
- Molecular formula
- C8H18N2O2S
- Molecular weight
- 206.31
Names & synonyms
3-ethyl-1-methanesulfonylpiperidin-4-amine1394042-88-63-ethyl-1-methylsulfonylpiperidin-4-amineDTXSID301254506UFC04288AKOS0175690703-Ethyl-1-(methanesulfonyl)piperidin-4-amineEN300-944824-Piperidinamine, 3-ethyl-1-(methylsulfonyl)-Z1268670767
Database identifiers
- CAS
1394042-88-6- PubChem CID
- 71873014
- DTXSID
DTXSID301254506
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Boiling point
- 316.1 · 316.1±52.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 9.48 · 9.48±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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