| Pubchem Sid | 504770187 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504770187 |
| Canonical Smiles | CC(C)(C)OC(=O)N1CCC(C1)Br |
| IUPAC Name | tert-butyl 3-bromopyrrolidine-1-carboxylate |
| InChIKey | QJTKPXFJOXKUEY-UHFFFAOYSA-N |
| INCHI | 1S/C9H16BrNO2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6H2,1-3H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCC(C1)Br |
| WGK Germany | 3 |
| Molecular Weight | 250.1 |
| Reaxy-Rn | 15588144 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15588144&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolidines |
| Subclass | Pyrrolidine carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolidine carboxylic acids |
| Alternative Parents | Carbamate esters Tertiary amines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Pyrrolidine carboxylic acid - Carbamic acid ester - Tertiary amine - Azacycle - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Amine - Alkyl halide - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2329740 | Certificate of Analysis | May 19, 2026 | N188431 |
| G2331059 | Certificate of Analysis | May 19, 2026 | N188431 |
| G2331060 | Certificate of Analysis | May 19, 2026 | N188431 |
| G2331065 | Certificate of Analysis | May 19, 2026 | N188431 |
| G2331067 | Certificate of Analysis | May 19, 2026 | N188431 |
| G2331068 | Certificate of Analysis | May 19, 2026 | N188431 |
| G2331072 | Certificate of Analysis | May 19, 2026 | N188431 |
| G2331074 | Certificate of Analysis | May 19, 2026 | N188431 |
| K2518777 | Certificate of Analysis | Jun 26, 2023 | N188431 |
| Solubility | Slightly soluble in water |
|---|---|
| Flash Point(°F) | >230 °F |
| Flash Point(°C) | >110 °C |
| Molecular Weight | 250.130 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 249.036 Da |
| Monoisotopic Mass | 249.036 Da |
| Topological Polar Surface Area | 29.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 200.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
