Tert-butyl 2-(2-bromoacetyl)pyrrolidine-1-carboxylate
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Basic information
- CAS
96551-92-7- Standard SMILES
CC(C)(C)OC(=O)N1CCCC1C(=O)CBr- InChIKey
AHDOQGYAXYGUQV-UHFFFAOYSA-N- Molecular formula
- C11H18BrNO3
- Average molar mass
- 292.17 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 2-(2-bromoacetyl)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 2-(2-bromoacetyl)pyrrolidine-1-carboxylate
- English name
- tert-butyl 2-(2-bromoacetyl)pyrrolidine-1-carboxylate
- Molecular formula
- C11H18BrNO3
- Molecular weight
- 292.17
Names & synonyms
tert-butyl 2-(2-bromoacetyl)pyrrolidine-1-carboxylate96551-92-7SCHEMBL6948605CGA66575AKOS040693489N-t-butoxycarbonyl-prolyl-bromomethane1-Pyrrolidinecarboxylic acid, 2-(2-bromoacetyl)-, 1,1-dimethylethyl ester
Database identifiers
- CAS
96551-92-7
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Boiling point
- 351.379 · 351.379±32.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.382 · 1.382±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -3.721 · -3.721±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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