≥97% 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.
| 정식 스마일 | CCCC(=N)OCC.Cl |
|---|---|
| IUPAC Name | ethyl butanimidate;hydrochloride |
| InChIKey | YGBFFMMKLWVKGU-UHFFFAOYSA-N |
| INCHI | 1S/C6H13NO.ClH/c1-3-5-6(7)8-4-2;/h7H,3-5H2,1-2H3;1H |
| 이성체 SMILES | CCCC(=N)OCC.Cl |
| 대체 CAS | 998-97-0 |
| 분자량 | 151.63 |
| Reaxy-Rn | 3679641 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3679641&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 |
| 분류 | Carboximidic acids and derivatives |
| Subclass | Imidoesters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Imidoesters |
| Alternative Parents | Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic chloride salts Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Imido ester - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as imidoesters. These are organic ester derivatives of imidic acid. They have the general structure ROC(CR')=NR\", where R=organyl group, R'-R\"= H or organyl group. |
| External Descriptors | Not available |
| 녹는점(°C) | 74-79 °C |
|---|---|
| 분자량 | 151.630 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 151.076 Da |
| Monoisotopic Mass | 151.076 Da |
| Topological Polar Surface Area | 33.100 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 70.900 |
| 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 |
