≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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)N1CCCN2C=NC(=C2C1)CO |
|---|---|
| IUPAC Name | tert-butyl 1-(hydroxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxylate |
| InChIKey | NHLCFNNJLKGBEP-UHFFFAOYSA-N |
| INCHI | 1S/C13H21N3O3/c1-13(2,3)19-12(18)15-5-4-6-16-9-14-10(8-17)11(16)7-15/h9,17H,4-8H2,1-3H3 |
| Molecular Weight | 267.320 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Imidazodiazepines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Imidazodiazepines |
| Alternative Parents | 1,4-diazepines N-substituted imidazoles Heteroaromatic compounds Carbamate esters Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Imidazo-para-diazepine - Imidazodiazepine - Para-diazepine - N-substituted imidazole - Azole - Imidazole - Carbamic acid ester - Heteroaromatic compound - Azacycle - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic alcohol - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as imidazodiazepines. These are organic compounds containing an imidazole ring fused to a diazepine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Diazepine is a 7-membered ring consisting of five carbon and two nitrogen atoms. |
| External Descriptors | Not available |
| Molecular Weight | 267.320 g/mol |
|---|---|
| XLogP3 | -0.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 267.158 Da |
| Monoisotopic Mass | 267.158 Da |
| Topological Polar Surface Area | 67.600 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 330.000 |
| 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 |
![tert-Butyl 1-(hydroxymethyl)-6,7-dihydro-5H-imidazo[1,5-a][1,4]diazepine-8(9H)-carboxylate - ≥97% , CAS No.1251014-69-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)