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N，N'-Di(tert-butyl)urea - ≥95%, high purity , CAS No.5336-24-3

COA

Grade & Purity:

≥95%

Cas Number: 5336-24-3
Molecular Weight: 172.27
PubChem CID: 21420

In stock

Item Number

N693729

Grouped product items
SKU	Size	Availability	Price
N693729-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$210.90
N693729-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$419.90
N693729-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,460.90

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

IUPAC Name	1,3-ditert-butylurea
INCHI	InChI=1S/C9H20N2O/c1-8(2,3)10-7(12)11-9(4,5)6/h1-6H3,(H2,10,11,12)
InChIKey	WSABLXKFAPKFSO-UHFFFAOYSA-N
Smiles	CC(C)(C)NC(=O)NC(C)(C)C
Isomeric SMILES	CC(C)(C)NC(=O)NC(C)(C)C
PubChem CID	21420
Molecular Weight	172.27

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	172.270 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	172.158 Da
Monoisotopic Mass	172.158 Da
Topological Polar Surface Area	41.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	144.000
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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