tert-Butyl 3-aminopropanoate - ≥98% , CAS No.15231-41-1

CAS: 15231-41-1 Cat. No.: T191093 Peso molecular: 145.2 Número EC: 812-584-1 PubChem CID: 4192171

GRADE & PURITY ≥98%

Synonyms

beta-alanine tert.-butyl ester | tert-butyl3-aminopropanoate | A884030 | a-alanine tert-butyl ester | beta-alanine tert-butyl ester | HY-W017970 | SB33827 | MFCD06212562 | tert-Butyl A-alaninate | tert-butyl-3-aminopropionate | Boc-C2-NH2 | tert-butyl 3-a

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

beta-alanine tert.-butyl ester | tert-butyl3-aminopropanoate | A884030 | a-alanine tert-butyl ester | beta-alanine tert-butyl ester | HY-W017970 | SB33827 | MFCD06212562 | tert-Butyl A-alaninate | tert-butyl-3-aminopropionate | Boc-C2-NH2 | tert-butyl 3-a

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504762901
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762901
• Sonrisas canónicas: CC(C)(C)OC(=O)CCN
• IUPAC Name: tert-butyl 3-aminopropanoate
• InChIKey: ZJXHVYSDMUKUCA-UHFFFAOYSA-N
• INCHI: 1S/C7H15NO2/c1-7(2,3)10-6(9)4-5-8/h4-5,8H2,1-3H3
• Isómeros SMILES: CC(C)(C)OC(=O)CCN
• PubChem CID: 4192171
• Peso molecular: 145.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Beta amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Beta amino acids and derivatives
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
• 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

Propiedades químicas y físicas

• Sensibilidad: Heat sensitive;Air sensitive;Light sensitive.
• Peso molecular: 145.200 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 145.11 Da
• Monoisotopic Mass: 145.11 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 115.000
• 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