≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | 488196165 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488196165 |
| Canonical Smiles | CC(CO)NC(=O)OC(C)(C)C |
| IUPAC Name | tert-butyl N-[(2S)-1-hydroxypropan-2-yl]carbamate |
| InChIKey | PDAFIZPRSXHMCO-LURJTMIESA-N |
| INCHI | 1S/C8H17NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m0/s1 |
| Isomeric SMILES | C[C@@H](CO)NC(=O)OC(C)(C)C |
| WGK Germany | 3 |
| Molecular Weight | 175.23 |
| Beilstein | 3648840 |
| Reaxy-Rn | 4660531 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4660531&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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Carbamic acids and derivatives |
| Direct Parent | Carbamate esters |
| Alternative Parents | Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Carbamic acid ester - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as carbamate esters. These are compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). They are esters of carbamic acids. |
| 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 |
|---|---|---|---|
 K2120029 | Certificate of Analysis | Sep 10, 2025 | B117126 |
| K2120031 | Certificate of Analysis | Sep 10, 2025 | B117126 |
| K2120213 | Certificate of Analysis | Sep 10, 2025 | B117126 |
| A1830074 | Certificate of Analysis | Aug 18, 2025 | B117126 |
| A1830075 | Certificate of Analysis | Aug 18, 2025 | B117126 |
| A1314061 | Certificate of Analysis | Mar 04, 2025 | B117126 |
| C23101216 | Certificate of Analysis | Mar 20, 2023 | B117126 |
| C23101206 | Certificate of Analysis | Mar 17, 2023 | B117126 |
| Solubility | Soluble in methanol |
|---|---|
| Specific Rotation[α] | -8.6 ° (C=1.2, MeOH) |
| Melt Point(°C) | 59-62°C |
| Molecular Weight | 175.230 g/mol |
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 175.121 Da |
| Monoisotopic Mass | 175.121 Da |
| Topological Polar Surface Area | 58.600 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 151.000 |
| 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 |
