Boc-Aib-OH - ≥98% , CAS No.30992-29-1

CAS: 30992-29-1 Cat. No.: B103155 Formule: C₉H₁₇NO₄ Poids moléculaire: 203.24 Beilstein Registry Number: 1953772 Numéro CE: 250-421-0

GRADE & PURITY ≥98%

Synonyms

Boc-Aib-OH | Boc-2-Aminoisobutyric acid | 2-(tert-Butoxycarbonylamino)isobutanoic acid | BOC-alpha methylalanine | PD196501 | N-[(1,1-Dimethylethoxy)carbonyl]-2-methyl-alanine | 2-[(1,1-dimethylethyloxycarbonyl)amino]-2-methylpropionic acid | N-Boc-2-amin

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

Boc-Aib-OH | Boc-2-Aminoisobutyric acid | 2-(tert-Butoxycarbonylamino)isobutanoic acid | BOC-alpha methylalanine | PD196501 | N-[(1,1-Dimethylethoxy)carbonyl]-2-methyl-alanine | 2-[(1,1-dimethylethyloxycarbonyl)amino]-2-methylpropionic acid | N-Boc-2-amin

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488192442
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192442
• Sourires canoniques: CC(C)(C)OC(=O)NC(C)(C)C(=O)O
• IUPAC Name: 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
• InChIKey: MFNXWZGIFWJHMI-UHFFFAOYSA-N
• INCHI: 1S/C9H17NO4/c1-8(2,3)14-7(13)10-9(4,5)6(11)12/h1-5H3,(H,10,13)(H,11,12)
• Isomères SMILES: CC(C)(C)OC(=O)NC(C)(C)C(=O)O
• WGK Allemagne: 3
• Poids moléculaire: 203.24
• Beilstein: 1953772
• Reaxy-Rn: 1953772
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1953772&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

• 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
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: 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: Alpha-amino acid or derivatives - Carbamic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen 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 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

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

Propriétés chimiques et physiques

• Point de fusion (°C): 118-122°C
• Poids moléculaire: 203.240 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 203.116 Da
• Monoisotopic Mass: 203.116 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 240.000
• 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

Foire aux questions

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 30992-29-1, the molecular formula is C9H17NO4, and the molecular weight is 203.24 g/mol. InChIKey MFNXWZGIFWJHMI-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.