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(R，S)-2-Isobutyl-3-(boc-amino)propanoic acid - ≥95%, high purity , CAS No.828254-17-7

COA

Grade & Purity:

≥95%

Cas Number: 828254-17-7
Molecular Weight: 245.32
PubChem CID: 12112523

In stock

Item Number

I726484

Grouped product items
SKU	Size	Availability	Price	Qty
I726484-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$47.90
I726484-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$113.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acids and conjugates
      - Level5 Branched fatty acids
        Level6 Methyl-branched fatty acids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acids and conjugates
Intermediate Tree Nodes	Branched fatty acids
Direct Parent	Methyl-branched fatty acids
Alternative Parents	Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Methyl-branched fatty acid - Carbamic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - 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 methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present.
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	4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
INCHI	InChI=1S/C12H23NO4/c1-8(2)6-9(10(14)15)7-13-11(16)17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,16)(H,14,15)
InChIKey	WWKOREWJYZNXDX-UHFFFAOYSA-N
Smiles	CC(C)CC(CNC(=O)OC(C)(C)C)C(=O)O
Isomeric SMILES	CC(C)CC(CNC(=O)OC(C)(C)C)C(=O)O
PubChem CID	12112523
Molecular Weight	245.32

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	245.320 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	245.163 Da
Monoisotopic Mass	245.163 Da
Topological Polar Surface Area	75.600 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	268.000
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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