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1，3，5-tris(6-isocyanatohexyl)biuret - NCO content:21-22.5%, high purity , CAS No.4035-89-6

COA

Grade & Purity:

NCO content:21-22.5%

Cas Number: 4035-89-6
Molecular Weight: 478.58
PubChem CID: 19950

In stock

Item Number

T770979

Grouped product items
SKU	Size	Availability	Price
T770979-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$68.90
T770979-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$205.90
T770979-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$617.90

View related series

Isothiocyanate ester (5)

Basic Description

Specifications & Purity	NCO content:21-22.5%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboximidic acids and derivatives
    - Subclass Carboximidic acids

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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	1,3-bis(6-isocyanatohexyl)-1-(6-isocyanatohexylcarbamoyl)urea
INCHI	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)
InChIKey	QKOWXXDOHMJOMQ-UHFFFAOYSA-N
Smiles	C(CCCN=C=O)CCNC(=O)N(CCCCCCN=C=O)C(=O)NCCCCCCN=C=O
Isomeric SMILES	C(CCCN=C=O)CCNC(=O)N(CCCCCCN=C=O)C(=O)NCCCCCCN=C=O
Molecular Weight	478.58

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

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 Å²
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

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