Tert-butyl 3-[5-(2-amino-ethyl)-thiophen-3-YL]-propionate
Basic information
- CAS
124499-24-7- Standard SMILES
CC(C)(C)OC(=O)CCc1csc(CCN)c1- InChIKey
KZUKIUTUXAZRLI-UHFFFAOYSA-N- Molecular formula
- C13H21NO2S
- Average molar mass
- 255.38 g/mol
- Monoisotopic mass
- 255.12930009
Names & identifiers
- Preferred name
- Tert-butyl 3-[5-(2-amino-ethyl)-thiophen-3-YL]-propionate
- IUPAC
- tert-butyl 3-[5-(2-aminoethyl)thiophen-3-yl]propanoate
- English name
- tert-Butyl 3-[5-(2-amino-ethyl)-thiophen-3-yl]-propionate
- Molecular formula
- C13H21NO2S
- Molecular weight
- 255.38
Names & synonyms
124499-24-7TERT-BUTYL 3-[5-(2-AMINO-ETHYL)-THIOPHEN-3-YL]-PROPIONATEtert-Butyl 3-(5-(2-aminoethyl)thiophen-3-yl)propanoatetert-butyl 3-[5-(2-aminoethyl)thiophen-3-yl]propanoate3-Thiophenepropanoic acid, 5-(2-aminoethyl)-, 1,1-dimethylethyl ester3-Thiophenepropanoicacid, 5-(2-aminoethyl)-, 1,1-dimethylethyl esterSCHEMBL9762999DTXSID70567317AKOS022180567SB32143CS-0443003tert-butyl 3-[5-(2-aminoethyl)-3-thienyl]propanoate
Show more names
tert-Butyl 3-5-(2-amino-ethyl)-thiophen-3-yl-propiote3-[5-(2-aminoethyl)-3-thiophenyl]propanoic acid tert-butyl ester
Tert-Butyl 3-[5-(2-amino-ethyl)thiophen-3-yl]propionate
Database identifiers
- CAS
124499-24-7- PubChem CID
- 15036627
- DTXSID
DTXSID70567317
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Boiling point
- 348 · 348.0±32.0 °C(Predicted)
- Density
- 1.09 · 1.090±0.06 g/cm3(Predicted)
- pka
- 9.47 · 9.47±0.10(Predicted)
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Compound notes
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