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O-Ethyl-N,N'-diisopropylisourea - ≥98.0%(GC), high purity , CAS No.60683-30-9

COA

Grade & Purity:

≥98%(GC)

Cas Number: 60683-30-9
Molecular Weight: 172.27
PubChem CID: 20470583
PubChem SID: 504768912

In stock

Item Number

E141477

Grouped product items
SKU	Size	Availability	Price
E141477-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$24.90
E141477-5ml	5ml	3	$93.90
E141477-25ml	25ml	2	$309.90

View related series

Alkylation reaction (7) C-X (non halogen) bonding reaction (132)

Basic Description

Synonyms	N,N'-Diisopropylcarbamimidic Acid Ethyl Ester，Ethyl N,N'-Diisopropylcarbamimidate
Specifications & Purity	≥98%(GC)
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Isourea - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Organic oxygen compound - 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	Not available
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

Pubchem Sid	504768912
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504768912
IUPAC Name	ethyl N,N'-di(propan-2-yl)carbamimidate
INCHI	InChI=1S/C9H20N2O/c1-6-12-9(10-7(2)3)11-8(4)5/h7-8H,6H2,1-5H3,(H,10,11)
InChIKey	AUCYHQMYJIEKBO-UHFFFAOYSA-N
Smiles	CCOC(=NC(C)C)NC(C)C
Isomeric SMILES	CCOC(=NC(C)C)NC(C)C
Molecular Weight	172.27
Reaxy-Rn	1754637
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1754637&ln=

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

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

Analytical Chart:

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Lot Number	Certificate Type	Date	Item
G1721062	Certificate of Analysis	Oct 12, 2024	E141477

Chemical and Physical Properties

Sensitivity	Moisture Sensitive,Heat Sensitive
Refractive Index	1.433
Flash Point(°C)	121 °C
Boil Point(°C)	65°C/10mmHg
Molecular Weight	172.270 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	172.158 Da
Monoisotopic Mass	172.158 Da
Topological Polar Surface Area	33.600 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	141.000
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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