Boc-L-alanine - ≥98% , CAS No.15761-38-3

CAS: 15761-38-3 Cat. No.: B109000 Summenformel: C₈H₁₅NO₄ Molekulargewicht: 189.21 Beilstein Registry Number: 1726365 EG-Nummer: 239-847-8

GRADE & PURITY ≥98%

Synonyms

Boc-Ala-OH | EINECS 239-847-8 | N-t-butoxycarbonyl alanine | (S)-2-((tert-Butoxycarbonyl)amino)propanoic acid | (S)-2-((TERT-BUTOXYCARBONYL)AMINO)PROPIONIC ACID | 1-phenylsulphonylindole-3-carboxaldehyde | (2S)-2-[(tert-butoxycarbonyl)amino]propanoic acid

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

Boc-Ala-OH | EINECS 239-847-8 | N-t-butoxycarbonyl alanine | (S)-2-((tert-Butoxycarbonyl)amino)propanoic acid | (S)-2-((TERT-BUTOXYCARBONYL)AMINO)PROPIONIC ACID | 1-phenylsulphonylindole-3-carboxaldehyde | (2S)-2-[(tert-butoxycarbonyl)amino]propanoic acid

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504755789

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755789

Kanonisches Lächeln

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

IUPAC Name

(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

InChIKey

QVHJQCGUWFKTSE-YFKPBYRVSA-N

INCHI

1S/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m0/s1

Isomere SMILES

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

WGK Deutschland

3

Molekulargewicht

189.21

Beilstein

1726365

Reaxy-Rn

1103973

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1103973&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 Alanine 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: Alanine 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: Alanine 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
• Beschreibung: This compound belongs to the class of organic compounds known as alanine and derivatives. These are compounds containing alanine or a derivative thereof resulting from reaction of alanine 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

• Spezifische Drehung [α]: -25.5 ° (C=2, AcOH)
• Schmelzpunkt (°C): 79-83°C
• Molekulargewicht: 189.210 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 189.1 Da
• Monoisotopic Mass: 189.1 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 207.000
• 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