Boc-Ala-OMe - ≥98% , CAS No.28875-17-4

CAS: 28875-17-4 Cat. No.: B133144 Formula: CH₃CH[NHCO₂C(CH₃)₃]CO₂CH₃ Peso molecolare: 203.24 Beilstein Registry Number: 1872545

GRADE & PURITY ≥98%

Synonyms

2,2,6,6-tetramethyl piperidin-1-oxyl | AKOS010368059 | SCHEMBL709981 | N-Boc-L-alanine Methyl Ester | Boc-L-alanine methyl ester | DTXSID30446058 | methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate | methyl (tert-butoxycarbonyl)-L-alaninate;

Storage

Room temperature

Shipped In

Normale

Specifications

Sinonimi

2,2,6,6-tetramethyl piperidin-1-oxyl | AKOS010368059 | SCHEMBL709981 | N-Boc-L-alanine Methyl Ester | Boc-L-alanine methyl ester | DTXSID30446058 | methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate | methyl (tert-butoxycarbonyl)-L-alaninate;

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488196860

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196860

Sorrisi canonici

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

IUPAC Name

methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

InChIKey

GJDICGOCZGRDFM-LURJTMIESA-N

INCHI

1S/C9H17NO4/c1-6(7(11)13-5)10-8(12)14-9(2,3)4/h6H,1-5H3,(H,10,12)/t6-/m0/s1

Isomeri SMILES

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

WGK Germania

3

Peso molecolare

203.24

Beilstein

1872545

Reaxy-Rn

1955147

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1955147&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 Alpha amino acid esters

• 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: Alpha amino acid esters
• Alternative Parents: Alanine and derivatives Methyl esters Carbamate esters Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid ester - Alanine or derivatives - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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

• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): 113 °C
• Punto di fusione (°C): 32- 35℃
• Peso molecolare: 203.240 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 203.116 Da
• Monoisotopic Mass: 203.116 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 219.000
• 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