Boc-DL-Val-OH - ≥98% , CAS No.54895-12-4

CAS: 54895-12-4 Cat. No.: B170934 Summenformel: (CH₃)₃OCONHCH(COOH)CH(CH₃)₂ Molekulargewicht: 217.26 EG-Nummer: 993-682-2

GRADE & PURITY ≥98%

Synonyms

CB07237 | GS-6220 | STK367904 | 2-[(TERT-BUTOXYCARBONYL)AMINO]-3-METHYLBUTANOIC ACID | clorazApate dipotassique | dl-n-(tert-butoxycarbonyl)valine | MFCD00069973 | Q-102754 | NSC197197 | NSC-197197 | n-t-boc-valine | DTXSID40297033 | AB02648 | Boc-DL-vali

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

CB07237 | GS-6220 | STK367904 | 2-[(TERT-BUTOXYCARBONYL)AMINO]-3-METHYLBUTANOIC ACID | clorazApate dipotassique | dl-n-(tert-butoxycarbonyl)valine | MFCD00069973 | Q-102754 | NSC197197 | NSC-197197 | n-t-boc-valine | DTXSID40297033 | AB02648 | Boc-DL-vali

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488189182
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189182
• Kanonisches Lächeln: CC(C)C(C(=O)O)NC(=O)OC(C)(C)C
• IUPAC Name: 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
• InChIKey: SZXBQTSZISFIAO-UHFFFAOYSA-N
• INCHI: 1S/C10H19NO4/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)
• Isomere SMILES: CC(C)C(C(=O)O)NC(=O)OC(C)(C)C
• WGK Deutschland: 3
• Molekulargewicht: 217.26
• Reaxy-Rn: 1106741
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1106741&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Valine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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: Methyl-branched fatty acids Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Valine or derivatives - Branched fatty acid - Methyl-branched fatty acid - Fatty acyl - Fatty acid - Carbamic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aliphatic acyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 112-114℃
• Molekulargewicht: 217.260 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 217.131 Da
• Monoisotopic Mass: 217.131 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 242.000
• 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

Häufig gestellte Fragen

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 54895-12-4, the molecular formula is C10H19NO4, and the molecular weight is 217.26 g/mol. InChIKey SZXBQTSZISFIAO-UHFFFAOYSA-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.