≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Bromoacetamido-PEG2-NHS ester is a PEG derivative containing a bromide group and an NHS ester. The hydrophilic PEG spacer increases solubility in aqueous media. The bromide (Br) is a very good leaving group for nucleophilic substitution reactions. The NHS ester can be used to label the primary amines (-NH2) of proteins, amine-modified oligonucleotides, and other amine-containing molecules.
| Canonical Smiles | C1CC(=O)N(C1=O)OC(=O)CCOCCOCCNC(=O)CBr |
|---|---|
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]propanoate |
| InChIKey | HDIXVXMKIWXBFA-UHFFFAOYSA-N |
| INCHI | 1S/C13H19BrN2O7/c14-9-10(17)15-4-6-22-8-7-21-5-3-13(20)23-16-11(18)1-2-12(16)19/h1-9H2,(H,15,17) |
| Isomeric SMILES | C1CC(=O)N(C1=O)OC(=O)CCOCCOCCNC(=O)CBr |
| PubChem CID | 60146182 |
| Molecular Weight | 395.2 |
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 | Pyrrolidones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolidine-2-ones |
| Alternative Parents | Dicarboximides Secondary carboxylic acid amides Lactams Carboxylic acid salts Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | 2-pyrrolidone - Dicarboximide - Secondary carboxylic acid amide - Lactam - Carboxylic acid salt - Carboxamide group - Azacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring. |
| External Descriptors | Not available |
| Molecular Weight | 395.200 g/mol |
|---|---|
| XLogP3 | -1.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 12 |
| Exact Mass | 394.038 Da |
| Monoisotopic Mass | 394.038 Da |
| Topological Polar Surface Area | 111.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 428.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
