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tert-Butyl [1-[methoxy(methyl)amino]-1-oxo-4-pentyn-2-yl]carbamate - ≥98%, high purity , CAS No.1172623-95-8

COA

Grade & Purity:

≥98%

Cas Number: 1172623-95-8
PubChem CID: 19364660

In stock

Item Number

T692275

Grouped product items
SKU	Size	Availability	Price
T692275-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$149.90
T692275-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$379.90
T692275-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,369.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Alpha amino acid amides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Alpha amino acid amides
Alternative Parents	Carbamate esters Acetylides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alpha-amino acid amide - Carbamic acid ester - Acetylide - Organic nitrogen compound - Organic oxygen 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 alpha amino acid amides. These are amide derivatives of alpha amino acids.
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-[1-[methoxy(methyl)amino]-1-oxopent-4-yn-2-yl]carbamate
INCHI	InChI=1S/C12H20N2O4/c1-7-8-9(10(15)14(5)17-6)13-11(16)18-12(2,3)4/h1,9H,8H2,2-6H3,(H,13,16)
InChIKey	NWNAEETYPITDNG-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)NC(CC#C)C(=O)N(C)OC
Isomeric SMILES	CC(C)(C)OC(=O)NC(CC#C)C(=O)N(C)OC
PubChem CID	19364660

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	256.300 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	256.142 Da
Monoisotopic Mass	256.142 Da
Topological Polar Surface Area	67.900 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	351.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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