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tert-Butyl 2-ethynylbenzylcarbamate - 95%, high purity

COA

Grade & Purity:

≥95%

PubChem CID: 71721035

In stock

Item Number

T189657

Grouped product items
SKU	Size	Availability	Price	Qty
T189657-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$63.90
T189657-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$262.90

Basic Description

Synonyms	tert-Butyl 2-ethynylbenzylcarbamate \| 1097731-47-9 \| tert-butyl N-[(2-ethynylphenyl)methyl]carbamate \| DTXSID10856893 \| tert-Butyl2-ethynylbenzylcarbamate \| XTB73147 \| MFCD24471043 \| AKOS022174032 \| DS-6006 \| tert-Butyl [(2-ethynylphenyl)methyl]carbamate \| N13220 \| EN300-74150
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Carbamate esters Acetylides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - Carbamic acid ester - Acetylide - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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	tert-butyl N-[(2-ethynylphenyl)methyl]carbamate
INCHI	InChI=1S/C14H17NO2/c1-5-11-8-6-7-9-12(11)10-15-13(16)17-14(2,3)4/h1,6-9H,10H2,2-4H3,(H,15,16)
InChIKey	RSZRTXWCUFDWLA-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)NCC1=CC=CC=C1C#C

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	231.290 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	231.126 Da
Monoisotopic Mass	231.126 Da
Topological Polar Surface Area	38.300 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	308.000
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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