≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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 | 504760568 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504760568 |
| Canonical Smiles | CC(C)(C)OC(=O)NC1CNC1 |
| IUPAC Name | tert-butyl N-(azetidin-3-yl)carbamate |
| InChIKey | NEMXVXVJGXZDRR-UHFFFAOYSA-N |
| INCHI | 1S/C8H16N2O2/c1-8(2,3)12-7(11)10-6-4-9-5-6/h6,9H,4-5H2,1-3H3,(H,10,11) |
| Isomeric SMILES | CC(C)(C)OC(=O)NC1CNC1 |
| WGK Germany | 3 |
| Molecular Weight | 172.22 |
| Reaxy-Rn | 7580606 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7580606&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 | Organic carbonic acids and derivatives Azetidines Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Carbamic acid ester - Azetidine - Carbonic acid derivative - Secondary aliphatic amine - Secondary amine - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic 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 |
|---|---|---|---|
 I2208539 | Certificate of Analysis | Jun 11, 2026 | B123269 |
| I2208540 | Certificate of Analysis | Jun 11, 2026 | B123269 |
| I2208541 | Certificate of Analysis | Jun 11, 2026 | B123269 |
| I2208542 | Certificate of Analysis | Jun 11, 2026 | B123269 |
| L2404153 | Certificate of Analysis | May 21, 2022 | B123269 |
| Sensitivity | Moisture sensitive;heat sensitive |
|---|---|
| Flash Point(°F) | 241°F |
| Flash Point(°C) | 116° |
| Boil Point(°C) | 268°C |
| Molecular Weight | 172.220 g/mol |
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 172.121 Da |
| Monoisotopic Mass | 172.121 Da |
| Topological Polar Surface Area | 50.400 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 170.000 |
| 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 |
