Determine the necessary mass, volume, or concentration for preparing a solution.
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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)N(CCCN)[N+](=NO)[O-] |
|---|---|
| IUPAC Name | (Z)-[3-aminopropyl(propan-2-yl)amino]-hydroxyimino-oxidoazanium |
| InChIKey | MTIRIKBRVALRPJ-NTMALXAHSA-N |
| INCHI | 1S/C6H16N4O2/c1-6(2)9(5-3-4-7)10(12)8-11/h6,11H,3-5,7H2,1-2H3/b10-8- |
| Isomeric SMILES | CC(C)N(CCCN)/[N+](=N/O)/[O-] |
| WGK Germany | 3 |
| PubChem CID | 135402057 |
| Molecular Weight | 176.22 |
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 →| Refractive Index | n20D1.53 (Predicted) |
|---|---|
| Boil Point(°C) | ~270.12° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 109.75° C (Predicted) |
| Molecular Weight | 176.220 g/mol |
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 176.127 Da |
| Monoisotopic Mass | 176.127 Da |
| Topological Polar Surface Area | 90.600 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 148.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |