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2-(3-But-3-ynyl-3H-diazirin-3-yl)-ethanol - 98%, high purity , CAS No.1450754-41-2

COA

Grade & Purity:

≥98%

Cas Number: 1450754-41-2
Molecular Weight: 138.17
EC Number: ‘831-138-7
PubChem CID: 118987360

In stock

Item Number

B587277

Grouped product items
SKU	Size	Availability	Price
B587277-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$322.90
B587277-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$516.90
B587277-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,033.90
B587277-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,308.90

Basic Description

Synonyms	EN300-227135 \| DS-19296 \| 2-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)ethan-1-ol \| 3H-Diazirine-3-ethanol, 3-(3-butyn-1-yl)- \| A920636 \| 3-(3-Butyn-1-yl)-3H-diazirine-3-ethanol \| DTXSID801278943 \| 2-(3-but-3-ynyldiazirin-3-yl)ethanol \| 2-[3-(but-3-yn-1-yl)-3H-d
Specifications & Purity	≥98%
Storage Temp	Protected from light,Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Acetylides

Kingdom	Organic compounds
Superclass	Acetylides
Class	Not available
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Acetylides
Alternative Parents	Propargyl-type 1,3-dipolar organic compounds Diazirines Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Acetylide - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Diazirine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as acetylides. These are compounds arising by replacement of one or both hydrogen atoms of acetylene (ethyne) by a metal or other cationic group. E.g. NaC#CH monosodium acetylide. By extension, analogous compounds derived from terminal acetylenes, RC#CH. The class is limited here to derivatives of acetylene where the hydrogen atom is replaced with an element with similar or lower electronegativity that carbon.
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	2-(3-but-3-ynyldiazirin-3-yl)ethanol
INCHI	InChI=1S/C7H10N2O/c1-2-3-4-7(5-6-10)8-9-7/h1,10H,3-6H2
InChIKey	NMIZSJAOOMXKDJ-UHFFFAOYSA-N
Smiles	C#CCCC1(N=N1)CCO
Isomeric SMILES	C#CCCC1(N=N1)CCO
Molecular Weight	138.17
Reaxy-Rn	23901054
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23901054&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	138.170 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	138.079 Da
Monoisotopic Mass	138.079 Da
Topological Polar Surface Area	45.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	183.000
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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