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6-Methyl-2-(1-phenylvinyl)-1,3,6,2-dioxazaborocane - 95%, high purity , CAS No.1150114-41-2

COA

Grade & Purity:

≥95%

Cas Number: 1150114-41-2
Molecular Weight: 231.1
PubChem CID: 46739305

In stock

Item Number

M179591

Grouped product items
SKU	Size	Availability	Price	Qty
M179591-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$50.90
M179591-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$228.90

Discover 6-Methyl-2-(1-phenylvinyl)-1,3,6,2-dioxazaborocane by Aladdin Scientific in 95% for only $50.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	6-METHYL-2-(1-PHENYLVINYL)-1,3,6,2-DIOXAZABOROCANE \| MFCD11855839 \| 1150114-41-2 \| A894073 \| AKOS015850846 \| BS-19315 \| DTXSID90674916 \| 6-methyl-2-(1-phenylethenyl)-1,3,6,2-dioxazaborocane \| 4H-1,3,6,2-Dioxazaborocine, tetrahydro-6-methyl-2-(1-phenylethe
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Styrenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Styrenes
Intermediate Tree Nodes	Not available
Direct Parent	Styrenes
Alternative Parents	Boronic acid esters Trialkylamines Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Styrene - Boronic acid ester - Boronic acid derivative - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Organoheterocyclic compound - Organic metalloid salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Amine - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
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	6-methyl-2-(1-phenylethenyl)-1,3,6,2-dioxazaborocane
INCHI	InChI=1S/C13H18BNO2/c1-12(13-6-4-3-5-7-13)14-16-10-8-15(2)9-11-17-14/h3-7H,1,8-11H2,2H3
InChIKey	QWPFMUGPSYWPFD-UHFFFAOYSA-N
Smiles	B1(OCCN(CCO1)C)C(=C)C2=CC=CC=C2
Isomeric SMILES	B1(OCCN(CCO1)C)C(=C)C2=CC=CC=C2
Molecular Weight	231.1
Reaxy-Rn	42164738
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=42164738&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	231.100 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	231.143 Da
Monoisotopic Mass	231.143 Da
Topological Polar Surface Area	21.700 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	244.000
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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