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Methyl 4-((tert-butoxycarbonyl)amino)butanoate - ≥95%, high purity , CAS No.85909-04-2

COA

Grade & Purity:

≥95%

Cas Number: 85909-04-2
Molecular Weight: 217.26
PubChem CID: 13112352

In stock

Item Number

M692232

Grouped product items
SKU	Size	Availability	Price
M692232-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$43.90
M692232-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$203.90
M692232-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$849.90

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 Gamma amino acids and derivatives

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
Direct Parent	Gamma amino acids and derivatives
Alternative Parents	Fatty acid methyl esters Methyl esters Carbamate esters Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Gamma amino acid or derivatives - Fatty acid ester - Fatty acid methyl ester - Fatty acyl - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
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	methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
INCHI	InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-7-5-6-8(12)14-4/h5-7H2,1-4H3,(H,11,13)
InChIKey	WOSTYWSKGONZPI-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)NCCCC(=O)OC
Isomeric SMILES	CC(C)(C)OC(=O)NCCCC(=O)OC
PubChem CID	13112352
Molecular Weight	217.26

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	217.260 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	217.131 Da
Monoisotopic Mass	217.131 Da
Topological Polar Surface Area	64.599 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	220.000
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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