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Basic information
- CAS
1151240-94-6- Standard SMILES
COC(=O)CC(Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C- InChIKey
INQCBWDBMIXHDN-UHFFFAOYSA-N- Molecular formula
- C16H20F3NO4
- Average molar mass
- 347.333 g/mol
- Monoisotopic mass
- 347.13444278
Names & identifiers
- Preferred name
- Methyl β-[[(1,1-dimethylethoxy)carbonyl]amino]-2,4,5-trifluorobenzenebutanoate
- IUPAC
- Methyl 3-[(tert-butoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoate
- English name
- Sitagliptin Impurity 46
- Molecular formula
- C16H20F3NO4
- Molecular weight
- 347.33
Names & synonyms
Sitagliptin Impurity 46Sitagliptin Phosphate Impurity 312Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-2,4,5-trifluoro-, methyl ester
Database identifiers
- CAS
1151240-94-6- PubChem CID
- 66660640
- DTXSID
DTXSID601136905- UNII
- 8XT3FE6729
- Nikkaji
- J2.287.876J
Properties
Physicochemical properties
- Boiling point
- 425.9 · 425.9±45.0 °C(Predicted)
- Density
- 1.226 · 1.226±0.06 g/cm3(Predicted)
- pka
- 11.23 · 11.23±0.46(Predicted)
Chemistry & industry
Suppliers7 total
济南百隆化学有限公司[email protected] · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
深圳卓越生物医药科技有限公司0755-26050679 18318671572 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
3 records
Compound notes
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