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tert-Butyl 2-aminoisobutyrate hydrochloride - 96%, high purity , CAS No.84758-81-6

COA

Grade & Purity:

≥96%

Cas Number: 84758-81-6
Molecular Weight: 195.7
PubChem CID: 12186776
PubChem SID: 504766955

In stock

Item Number

H186899

Grouped product items
SKU	Size	Availability	Price
H186899-250mg	250mg	3	$39.90
H186899-1g	1g	2	$122.90
H186899-5g	5g	2	$485.90
H186899-25g	25g	2	$2,184.90
H186899-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$7,864.90

Basic Description

Synonyms	84758-81-6 \| Tert-butyl 2-amino-2-methylpropanoate hydrochloride \| H-Aib-OtBu HCl \| H-Aib-OtBu.HCl \| MFCD08272284 \| tert-butyl 2-amino-2-methylpropanoate;hydrochloride \| tert-butyl 2-amino-2-methylpropionate hydrochloride \| H-alpha-Me-Ala-OtBu . HCl \| YZKDXIFGPWUKTI-UHFF
Specifications & Purity	≥96%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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

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	Alpha amino acids and derivatives
Alternative Parents	Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alpha-amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
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

Pubchem Sid	504766955
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504766955
IUPAC Name	tert-butyl 2-amino-2-methylpropanoate;hydrochloride
INCHI	InChI=1S/C8H17NO2.ClH/c1-7(2,3)11-6(10)8(4,5)9;/h9H2,1-5H3;1H
InChIKey	YZKDXIFGPWUKTI-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)C(C)(C)N.Cl
Isomeric SMILES	CC(C)(C)OC(=O)C(C)(C)N.Cl
Molecular Weight	195.7
Reaxy-Rn	5109547
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5109547&ln=

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

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Lot Number	Certificate Type	Date	Item
F2001131	Certificate of Analysis	Mar 07, 2023	H186899

Chemical and Physical Properties

Solubility	Soluble in water or 1% acetic acid.
Molecular Weight	195.690 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	195.103 Da
Monoisotopic Mass	195.103 Da
Topological Polar Surface Area	52.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	156.000
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	2

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