≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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.
| Pubchem Sid | 504764535 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504764535 |
| Canonical Smiles | CC(C)(C)OC(=O)NC(CC1=CC=CC=C1Br)CC(=O)O |
| IUPAC Name | (3R)-4-(2-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid |
| InChIKey | MOFCTVVLGCILTN-LLVKDONJSA-N |
| INCHI | 1S/C15H20BrNO4/c1-15(2,3)21-14(20)17-11(9-13(18)19)8-10-6-4-5-7-12(10)16/h4-7,11H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t11-/m1/s1 |
| Isomeric SMILES | CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1Br)CC(=O)O |
| PubChem CID | 7014923 |
| Molecular Weight | 358.23 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Amphetamines and derivatives |
| Alternative Parents | Bromobenzenes Aryl bromides Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Amphetamine or derivatives - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine. |
| 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 |
|---|---|---|---|
 B2225053 | Certificate of Analysis | Dec 10, 2024 | B355619 |
| B2225060 | Certificate of Analysis | Dec 10, 2024 | B355619 |
| B2225065 | Certificate of Analysis | Dec 10, 2024 | B355619 |
| B2225073 | Certificate of Analysis | Dec 10, 2024 | B355619 |
| Molecular Weight | 358.230 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 357.058 Da |
| Monoisotopic Mass | 357.058 Da |
| Topological Polar Surface Area | 75.600 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 367.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
