tert-Butyl 3-((2-aminoethyl)thio)piperidine-1-carboxylate
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Basic information
- CAS
1353973-40-6- Standard SMILES
CC(C)(C)OC(=O)N1CCCC(SCCN)C1- InChIKey
DHKRIQLMJLHSPH-UHFFFAOYSA-N- Molecular formula
- C12H24N2O2S
- Average molar mass
- 260.4 g/mol
- Monoisotopic mass
- 260.15584919
Names & identifiers
- Preferred name
- tert-Butyl 3-((2-aminoethyl)thio)piperidine-1-carboxylate
- IUPAC
- tert-butyl 3-(2-aminoethylsulfanyl)piperidine-1-carboxylate
- English name
- 3-(2-AMino-ethylsulfanyl)-piperidine-1-carboxylic acid tert-butyl ester
- Molecular formula
- C12H24N2O2S
- Molecular weight
- 260.4
Names & synonyms
1353973-40-6tert-Butyl 3-((2-aminoethyl)thio)piperidine-1-carboxylate3-(2-Amino-ethylsulfanyl)-piperidine-1-carboxylic acid tert-butyl estertert-Butyl3-((2-aminoethyl)thio)piperidine-1-carboxylatetert-butyl 3-(2-aminoethylsulfanyl)piperidine-1-carboxylateSB50598DB-2517381-Piperidinecarboxylic acid, 3-[(2-aminoethyl)thio]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1353973-40-6- PubChem CID
- 66564539
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 370.5 · 370.5±37.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- pka
- 8.99 · 8.99±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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