N-acetil-L-valina - ≥98% , CAS No.96-81-1

CAS: 96-81-1 Cat. No.: A109366 Formula: C₇H₁₃NO₃ Peso molecolare: 159.18 Beilstein Registry Number: 4(3)1367 Numero EC: 202-537-8

GRADE & PURITY ≥98%

Synonyms

(S)-2-acetylamino-3-methylbutyric acid | N-Acetyl Valine | N-Acetylvaline | n-acetyl-Valine | L-Valine, N-acetyl- | MFCD00066066 | N-alpha-Actetyl-L-valine (Ac-L-Val-OH) | SCHEMBL132349 | A-1897 | UNII-U83P7H9HV3 | AC-VAL | Q27290813 | AKOS001078320 | DTX

Storage

Room temperature

Shipped In

Normale

Panoramica

L'Ac-Val-OH è un ligando dell'amminoacido valina N-protetto. Partecipa alla reazione di 2,6-diolefinazione degli acidi fenilacetici.
L'Ac-Val-OH può essere impiegato come ligando per la reazione metaselettiva di tert-alchilazione.

Specifications

Sinonimi

(S)-2-acetylamino-3-methylbutyric acid | N-Acetyl Valine | N-Acetylvaline | n-acetyl-Valine | L-Valine, N-acetyl- | MFCD00066066 | N-alpha-Actetyl-L-valine (Ac-L-Val-OH) | SCHEMBL132349 | A-1897 | UNII-U83P7H9HV3 | AC-VAL | Q27290813 | AKOS001078320 | DTX

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488183852

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183852

Sorrisi canonici

CC(C)C(C(=O)O)NC(=O)C

IUPAC Name

(2S)-2-acetamido-3-methylbutanoic acid

InChIKey

IHYJTAOFMMMOPX-LURJTMIESA-N

INCHI

1S/C7H13NO3/c1-4(2)6(7(10)11)8-5(3)9/h4,6H,1-3H3,(H,8,9)(H,10,11)/t6-/m0/s1

Isomeri SMILES

CC(C)[C@@H](C(=O)O)NC(=O)C

Peso molecolare

159.18

Beilstein

4(3)1367

Reaxy-Rn

1723835

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1723835&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Valine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Valine and derivatives
• Alternative Parents: N-acyl-L-alpha-amino acids Methyl-branched fatty acids Acetamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Valine or derivatives - N-acyl-l-alpha-amino acid - Branched fatty acid - Methyl-branched fatty acid - Fatty acyl - Fatty acid - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: Not available

Data sources

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

Proprietà chimiche e fisiche

• Solubilità: Soluble in methanol
• Rotazione specifica [α]: +11.0 to +14.0 deg(C=1, AcOH)
• Punto di fusione (°C): 163.0 to 167.0 °C
• Peso molecolare: 159.180 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 159.09 Da
• Monoisotopic Mass: 159.09 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 165.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 96-81-1, the molecular formula is C7H13NO3, and the molecular weight is 159.18 g/mol. InChIKey IHYJTAOFMMMOPX-LURJTMIESA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.