≥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.
| Canonical Smiles | CC(C)(C)OC(=O)NC1=CC=CC(=C1)CN |
|---|---|
| IUPAC Name | tert-butyl N-[3-(aminomethyl)phenyl]carbamate |
| InChIKey | NXQNEOIMZVWHQW-UHFFFAOYSA-N |
| INCHI | 1S/C12H18N2O2/c1-12(2,3)16-11(15)14-10-6-4-5-9(7-10)8-13/h4-7H,8,13H2,1-3H3,(H,14,15) |
| Isomeric SMILES | CC(C)(C)OC(=O)NC1=CC=CC(=C1)CN |
| Molecular Weight | 222.28 |
| Reaxy-Rn | 14198946 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14198946&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylcarbamic acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylcarbamic acid esters |
| Alternative Parents | Phenylmethylamines Benzylamines Aralkylamines Carbamate esters Organic carbonic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylcarbamic acid ester - Benzylamine - Phenylmethylamine - Aralkylamine - Carbamic acid ester - Carbonic acid derivative - Amine - Hydrocarbon derivative - Organic oxide - Primary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Primary aliphatic amine - Carbonyl group - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic 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 |
|---|---|---|---|
 I2420198 | Certificate of Analysis | Jun 13, 2024 | A191961 |
| I2420199 | Certificate of Analysis | Jun 13, 2024 | A191961 |
| I2420200 | Certificate of Analysis | Jun 13, 2024 | A191961 |
| I2420201 | Certificate of Analysis | Jun 13, 2024 | A191961 |
| I2420202 | Certificate of Analysis | Jun 13, 2024 | A191961 |
| I2420203 | Certificate of Analysis | Jun 13, 2024 | A191961 |
| I2420204 | Certificate of Analysis | Jun 13, 2024 | A191961 |
| I2420205 | Certificate of Analysis | Jun 13, 2024 | A191961 |
| I2420206 | Certificate of Analysis | Jun 13, 2024 | A191961 |
| I2420207 | Certificate of Analysis | Jun 13, 2024 | A191961 |
| Sensitivity | Air sensitive |
|---|---|
| Molecular Weight | 222.280 g/mol |
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 222.137 Da |
| Monoisotopic Mass | 222.137 Da |
| Topological Polar Surface Area | 64.400 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 236.000 |
| 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 |
