![5-amino-4-(1H-benzo[d]imidazol-2-yl)-1-butyl-1H-pyrrol-3(2H)-one , CAS No.459138-06-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)
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5-amino-4-(1H-benzo[d]imidazol-2-yl)-1-butyl-1H-pyrrol-3(2H)-one , CAS No.459138-06-8
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Storage
Room temperature
Shipped In
Normal
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Storage
Room temperature
Shipped In
Normal
Names and Identifiers
| Canonical Smiles | CCCCN1CC(=C(C1=N)C2=NC3=CC=CC=C3N2)O |
|---|---|
| IUPAC Name | 4-(1H-benzimidazol-2-yl)-1-butyl-5-imino-2H-pyrrol-3-ol |
| InChIKey | RXRWCDHMWQIBFS-UHFFFAOYSA-N |
| INCHI | 1S/C15H18N4O/c1-2-3-8-19-9-12(20)13(14(19)16)15-17-10-6-4-5-7-11(10)18-15/h4-7,16,20H,2-3,8-9H2,1H3,(H,17,18) |
| Molecular Weight | 270.33 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 270.330 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 270.148 Da |
| Monoisotopic Mass | 270.148 Da |
| Topological Polar Surface Area | 76.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 420.000 |
| 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 |
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