(R)-tert-Butyl 1-(2-bromobenzyl)pyrrolidin-3-ylcarbamate
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Basic information
- CAS
1286209-26-4- Standard SMILES
CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccccc2Br)C1- InChIKey
PXVYFGOCAJEVSE-CYBMUJFWSA-N- Molecular formula
- C16H23BrN2O2
- Average molar mass
- 355.27 g/mol
- Monoisotopic mass
- 354.09429
Names & identifiers
- Preferred name
- (R)-tert-Butyl 1-(2-bromobenzyl)pyrrolidin-3-ylcarbamate
- IUPAC
- tert-butyl N-[(3R)-1-[(2-bromophenyl)methyl]pyrrolidin-3-yl]carbamate
- English name
- (R)-tert-Butyl 1-(2-bromobenzyl)pyrrolidin-3-ylcarbamate
- Molecular formula
- C16H23BrN2O2
- Molecular weight
- 355.27
Names & synonyms
1286209-26-4(R)-tert-Butyl 1-(2-bromobenzyl)pyrrolidin-3-ylcarbamate(R)-tert-Butyl (1-(2-bromobenzyl)pyrrolidin-3-yl)carbamateTERT-BUTYL N-[(3R)-1-[(2-BROMOPHENYL)METHYL]PYRROLIDIN-3-YL]CARBAMATE(R)-tert-Butyl(1-(2-bromobenzyl)pyrrolidin-3-yl)carbamateMFCD18378148AKOS027386165KS-6523F064308Carbamic acid, N-[(3R)-1-[(2-bromophenyl)methyl]-3-pyrrolidinyl]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1286209-26-4- PubChem CID
- 53256387
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 357
Physicochemical properties
- Boiling point
- 428.4 · 428.4±40.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 12.29 · 12.29±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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