Basic information
- CAS
316141-29-4- Standard SMILES
CC(C)(C)OC(=O)N1CCCC1C=C(Br)Br- InChIKey
JXIYXIWBJYCVST-UHFFFAOYSA-N- Molecular formula
- C11H17Br2NO2
- Average molar mass
- 355.07 g/mol
- Monoisotopic mass
- 352.96260298
Names & identifiers
- Preferred name
- tert-Butyl 2-(2,2-dibromoethenyl)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 2-(2,2-dibromoethenyl)pyrrolidine-1-carboxylate
- English name
- tert-Butyl 2-(2,2-dibromovinyl)pyrrolidine-1-carboxylate
- Molecular formula
- C11H17Br2NO2
- Molecular weight
- 355.07
Names & synonyms
316141-29-4DTXSID80563401tert-butyl 2-(2,2-dibromoethenyl)pyrrolidine-1-carboxylateRefChem:383151DTXCID00514177TERT-BUTYL 2-(2,2-DIBROMOVINYL)PYRROLIDINE-1-CARBOXYLATESCHEMBL3602645JXIYXIWBJYCVST-UHFFFAOYSA-NDB-3215401-(tert-butoxycarbonyl)-2-(2,2-dibromoethenyl) pyrrolidine1-(tert-butoxycarbonyl)-2-(2,2-dibromoethenyl)pyrrolidinel-(tert-butoxycarbonyl)-2-(2,2-dibromoethenyl) pyrrolidine
Show more names
2-(2,2-dibromoethenyl)-1-pyrrolidinecarboxylic acid tert-butyl ester1-Pyrrolidinecarboxylic acid, 2-(2,2-dibromoethenyl)-, 1,1-dimethylethyl ester
tert-Butyl 2-(2,2-dibromoethen-1-yl)pyrrolidine-1-carboxylateTERT-BUTYL2-(2,2-DIBROMOVINYL)PYRROLIDINE-1-CARBOXYLATE2,2-Dibromoethenyl-1-pyrrolidinecarboxylic acid, 1,1-dimethylethyl ester
Database identifiers
- CAS
316141-29-4- PubChem CID
- 14730280
- DTXSID
DTXSID80563401
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Boiling point
- 350.1 · 350.1±32.0 °C(Predicted)
- Density
- 1.67 · 1.670±0.06 g/cm3(Predicted)
- pka
- -4 · -4.00±0.40(Predicted)
Chemistry & industry
Suppliers1 total
河北药成医药科技有限责任公司19903117580 19903117510 · [email protected]
Related reactions
13 records
Compound notes
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