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Bis(4-isopropyl-4，5-dihydrooxazol-2-yl)methane - ≥97%, high purity , CAS No.152754-11-5

COA

Grade & Purity:

≥97%

Cas Number: 152754-11-5
Molecular Weight: 238.33
PubChem CID: 4281291

In stock

Item Number

B691472

Grouped product items
SKU	Size	Availability	Price	Qty
B691472-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,482.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azolines
    - Subclass Oxazolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azolines
Subclass	Oxazolines
Intermediate Tree Nodes	Not available
Direct Parent	Oxazolines
Alternative Parents	Imidoesters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Oxazoline - Imido ester - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as oxazolines. These are organic compounds containing 1,3-oxazoline, a five-membered ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively. Additionally, it contains two double bonds.
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	4-propan-2-yl-2-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole
INCHI	InChI=1S/C13H22N2O2/c1-8(2)10-6-16-12(14-10)5-13-15-11(7-17-13)9(3)4/h8-11H,5-7H2,1-4H3
InChIKey	KEHOIBBPRFRZFW-UHFFFAOYSA-N
Smiles	CC(C)C1COC(=N1)CC2=NC(CO2)C(C)C
Isomeric SMILES	CC(C)C1COC(=N1)CC2=NC(CO2)C(C)C
Molecular Weight	238.33
Reaxy-Rn	31429702
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31429702&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	238.330 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	238.168 Da
Monoisotopic Mass	238.168 Da
Topological Polar Surface Area	43.200 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	302.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
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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Bis(4-isopropyl-4，5-dihydrooxazol-2-yl)methane - ≥97%, high purity , CAS No.152754-11-5

Basic Description