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1,3-diisopropylurea - 95%, high purity , CAS No.4128-37-4

COA

Grade & Purity:

≥95%

Cas Number: 4128-37-4
Molecular Weight: 144.21
PubChem CID: 20084
PubChem SID: 504752962

In stock

Item Number

D589065

Grouped product items
SKU	Size	Availability	Price
D589065-1g	1g	3	$19.90
D589065-5g	5g	2	$29.90
D589065-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$119.90
D589065-100g	100g	1	$399.90

Basic Description

Synonyms	Z94792417 \| NSC112719 \| NSC-112719 \| SCHEMBL20944295 \| SY083966 \| D93441 \| EINECS 223-940-5 \| GEO-03835 \| NCGC00255709-01 \| (CH3)2-CH-NH-C(O)-NH-CH-(CH3)2 \| Urea,N'-bis(1-methylethyl)- \| N,N'-Bis(isopropyl)urea \| NSC 112719 \| Tox21_301975 \| Urea, N,N'-bis
Specifications & Purity	≥95%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic carbonic acids and derivatives
    - Subclass Ureas

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic carbonic acids and derivatives
Subclass	Ureas
Intermediate Tree Nodes	Not available
Direct Parent	Ureas
Alternative Parents	Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Urea - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as ureas. These are compounds containing two amine groups joined by a carbonyl (C=O) functional group.
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	504752962
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752962
IUPAC Name	1,3-di(propan-2-yl)urea
INCHI	InChI=1S/C7H16N2O/c1-5(2)8-7(10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)
InChIKey	BGRWYRAHAFMIBJ-UHFFFAOYSA-N
Smiles	CC(C)NC(=O)NC(C)C
Isomeric SMILES	CC(C)NC(=O)NC(C)C
Molecular Weight	144.21
Reaxy-Rn	1098884
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098884&ln=

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
G2425414	Certificate of Analysis	Apr 23, 2024	D589065
G2425415	Certificate of Analysis	Apr 23, 2024	D589065
G2425416	Certificate of Analysis	Apr 23, 2024	D589065
G2425474	Certificate of Analysis	Apr 23, 2024	D589065
G2425410	Certificate of Analysis	Apr 23, 2024	D589065
G2425411	Certificate of Analysis	Apr 23, 2024	D589065
G2425412	Certificate of Analysis	Apr 23, 2024	D589065
G2425413	Certificate of Analysis	Apr 23, 2024	D589065

Chemical and Physical Properties

Molecular Weight	144.210 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	144.126 Da
Monoisotopic Mass	144.126 Da
Topological Polar Surface Area	41.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	98.200
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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