Basic information
- CAS
1286207-47-3- Standard SMILES
CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1- InChIKey
MWYNWWZIPFHYKX-OAHLLOKOSA-N- Molecular formula
- C17H23N3O2
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.17902698
Names & identifiers
- Preferred name
- (R)-tert-Butyl 1-(4-cyanobenzyl)pyrrolidin-3-ylcarbamate
- IUPAC
- tert-butyl N-[(3R)-1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]carbamate
- English name
- (R)-tert-Butyl 1-(4-cyanobenzyl)pyrrolidin-3-ylcarbamate
- Molecular formula
- C17H23N3O2
- Molecular weight
- 301.38
Names & synonyms
1286207-47-3(R)-tert-Butyl 1-(4-cyanobenzyl)pyrrolidin-3-ylcarbamate(R)-tert-Butyl (1-(4-cyanobenzyl)pyrrolidin-3-yl)carbamatetert-butyl N-[(3R)-1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]carbamateMFCD18378076(R)-tert-Butyl(1-(4-cyanobenzyl)pyrrolidin-3-yl)carbamateAKOS027386121KS-6432F064237Tert-butyl (r)-(1-(4-cyanobenzyl)pyrrolidin-3-yl)carbamateCarbamic acid, N-[(3R)-1-[(4-cyanophenyl)methyl]-3-pyrrolidinyl]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1286207-47-3- PubChem CID
- 53256312
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 427
Physicochemical properties
- Boiling point
- 446.9 · 446.9±45.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 12.29 · 12.29±0.20(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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