NCO content:21-22.5% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | C(CCCN=C=O)CCNC(=O)N(CCCCCCN=C=O)C(=O)NCCCCCCN=C=O |
|---|---|
| IUPAC Name | 1,3-bis(6-isocyanatohexyl)-1-(6-isocyanatohexylcarbamoyl)urea |
| InChIKey | QKOWXXDOHMJOMQ-UHFFFAOYSA-N |
| INCHI | 1S/C23H38N6O5/c30-19-24-13-7-1-3-10-16-27-22(33)29(18-12-6-5-9-15-26-21-32)23(34)28-17-11-4-2-8-14-25-20-31/h1-18H2,(H,27,33)(H,28,34) |
| Isomeric SMILES | C(CCCN=C=O)CCNC(=O)N(CCCCCCN=C=O)C(=O)NCCCCCCN=C=O |
| Molecular Weight | 478.58 |
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 |
| Class | Carboximidic acids and derivatives |
| Subclass | Carboximidic acids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoureas |
| Alternative Parents | Isocyanates Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Isourea - Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as isoureas. These are organic compounds containing the isourea group, with the general structure R1N(R2)C(=NR3)OR4, or its hydrocarbyl derivatives (R1,R2,R3,R4=H, alkyl, aryl). |
| External Descriptors | triisocyanate |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 A2626648 | Certificate of Analysis | Jan 05, 2026 | T770979 |
| A2626649 | Certificate of Analysis | Jan 05, 2026 | T770979 |
| A2626650 | Certificate of Analysis | Jan 05, 2026 | T770979 |
| I2505547 | Certificate of Analysis | Aug 27, 2025 | T770979 |
| I2505551 | Certificate of Analysis | Aug 27, 2025 | T770979 |
| I2505552 | Certificate of Analysis | Aug 27, 2025 | T770979 |
| Molecular Weight | 478.600 g/mol |
|---|---|
| XLogP3 | 6.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 21 |
| Exact Mass | 478.29 Da |
| Monoisotopic Mass | 478.29 Da |
| Topological Polar Surface Area | 150.000 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 654.000 |
| 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 |
