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≥96% 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 | C1CC(CN2C1CCC2=O)C3=NC(=C4N3C=CN=C4N)Br |
|---|---|
| IUPAC Name | (6R,8aS)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one |
| InChIKey | NAAAINROMKRIPK-BDAKNGLRSA-N |
| INCHI | 1S/C14H16BrN5O/c15-12-11-13(16)17-5-6-19(11)14(18-12)8-1-2-9-3-4-10(21)20(9)7-8/h5-6,8-9H,1-4,7H2,(H2,16,17)/t8-,9+/m1/s1 |
| Isomeric SMILES | C1C[C@H](CN2[C@@H]1CCC2=O)C3=NC(=C4N3C=CN=C4N)Br |
| PubChem CID | 86727697 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indolizidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolizidines |
| Alternative Parents | Imidazo[1,5-a]pyrazines Aminopyrazines Pyrrolidine-2-ones Piperidines Aryl bromides N-substituted imidazoles N-alkylpyrrolidines Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Primary amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Imidazo[1,5-a]pyrazine - Indolizidine - Aminopyrazine - Aryl bromide - Aryl halide - N-substituted imidazole - Piperidine - Imidolactam - N-alkylpyrrolidine - Pyrazine - 2-pyrrolidone - Pyrrolidone - Pyrrolidine - Tertiary carboxylic acid amide - Imidazole - Heteroaromatic compound - Azole - Amino acid or derivatives - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Primary amine - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolizidines. These are polycyclic compounds containing an indolizidine, which is a bicyclic heterocycle containing a saturated six-member ring fused to a saturated five-member ring, one of the bridging atoms being nitrogen. |
| External Descriptors | Not available |
| Molecular Weight | 350.210 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 349.054 Da |
| Monoisotopic Mass | 349.054 Da |
| Topological Polar Surface Area | 76.500 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 436.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |