Basic information
- CAS
905587-16-8- Standard SMILES
C[C@H](NC(=O)OC(C)(C)C)c1ccc(F)cn1- InChIKey
NYGTZRSBDZWBCF-QMMMGPOBSA-N- Molecular formula
- C12H17FN2O2
- Average molar mass
- 240.27 g/mol
- Monoisotopic mass
- 240.12740595
Names & identifiers
- Preferred name
- (S)-tert-Butyl (1-(5-fluoropyridin-2-yl)ethyl)carbamate
- IUPAC
- tert-butyl N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]carbamate
- English name
- (S)-tert-butyl 1-(5-fluoropyridin-2-yl)ethylcarbaMate
- Molecular formula
- C12H17FN2O2
- Molecular weight
- 240.27
Names & synonyms
905587-16-8(S)-tert-Butyl (1-(5-fluoropyridin-2-yl)ethyl)carbamate(S)-tert-butyl 1-(5-fluoropyridin-2-yl)ethylcarbamatetert-butyl N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]carbamatetert-Butyl [(1S)-1-(5-fluoropyridin-2-yl)ethyl]carbamateY6479(S)-tert-Butyl(1-(5-fluoropyridin-2-yl)ethyl)carbamateDTXSID00744290NYGTZRSBDZWBCF-QMMMGPOBSA-NDB-344959(S)-tert-butyl-1-(5-fluoropyridin-2-yl)ethylcarbamatetert-Butyl [(15)-1-(5-fluoropyridin-2-yl)ethyl]carbamate
Show more names
tert-butyl(S)-(1-(5-fluoropyridin-2-yl)ethyl)carbamateCarbamic acid, N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-, 1,1-dimethylethyl ester
tert-Butyl[(15)-1-(5-fluoropyridin-2-yl)ethyl]carbamatetert-Butyl[(1S)-1-(5-fluoropyridin-2-yl)ethyl]carbamate
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Boiling point
- 324.8 · 324.8±32.0 °C(Predicted)
- Density
- 1.115 · 1.115±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 11.26 · 11.26±0.46(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
上海智乾生物科技有限公司[email protected]
北京蓝博中兴科技有限公司010-56330744 15210344275 · [email protected]
Related reactions
4 records
Compound notes
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