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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 | C=CCOC(=O)NCCN.Cl |
|---|---|
| IUPAC Name | prop-2-enyl N-(2-aminoethyl)carbamate;hydrochloride |
| InChIKey | QDHZJBPUFKOFBA-UHFFFAOYSA-N |
| INCHI | 1S/C6H12N2O2.ClH/c1-2-5-10-6(9)8-4-3-7;/h2H,1,3-5,7H2,(H,8,9);1H |
| Isomeric SMILES | C=CCOC(=O)NCCN.Cl |
| WGK Germany | 3 |
| Molecular Weight | 180.63 |
| Reaxy-Rn | 23632608 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23632608&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Refractive Index | n20D~1.47 (Predicted) |
|---|---|
| Boil Point(°C) | 284.7° C at 760 mmHg (Predicted) |
| Molecular Weight | 180.630 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 180.067 Da |
| Monoisotopic Mass | 180.067 Da |
| Topological Polar Surface Area | 64.400 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 114.000 |
| 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 | 2 |