β-Alanine methyl ester hydrochloride - 10mM in DMSO , CAS No.3196-73-4

CAS: 3196-73-4 Cat. No.: A423303 Fórmula: C₄H₉NO₂·HCl Peso molecular: 139.58 Beilstein Registry Number: 3556748 Número EC: 831-677-8

GRADE & PURITY 10mM in DMSO

Synonyms

3196-73-4|Methyl 3-aminopropionate hydrochloride|Methyl 3-aminopropanoate Hydrochloride|beta-Alanine methyl ester hydrochloride|H-|A-Ala-OMe.HCl|H-beta-Ala-OMe.HCl|MFCD00039060|beta-alanine methyl ester hcl|Beta-alanine methyl ester, HCl|b-alanine methyl

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

3196-73-4 | Methyl 3-aminopropionate hydrochloride | Methyl 3-aminopropanoate Hydrochloride | beta-Alanine methyl ester hydrochloride | H- | A-Ala-OMe.HCl | H-beta-Ala-OMe.HCl | MFCD00039060 | beta-alanine methyl ester hcl | Beta-alanine methyl ester, HCl | b-alanine methyl

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Nombres e identificadores

Pubchem Sid

528768836

Sonrisas canónicas

COC(=O)CCN.Cl

IUPAC Name

methyl 3-aminopropanoate;hydrochloride

InChIKey

XPGRZDJXVKFLHQ-UHFFFAOYSA-N

INCHI

1S/C4H9NO2.ClH/c1-7-4(6)2-3-5;/h2-3,5H2,1H3;1H

Isómeros SMILES

COC(=O)CCN.Cl

WGK Alemania

3

Peso molecular

139.58

Beilstein

3556748

Reaxy-Rn

3556748

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3556748&ln=

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: Methyl esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta amino acid or derivatives - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Amine - Hydrocarbon derivative - Hydrochloride - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - 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&Moisture sensitive.
• Punto de fusión (°C): 103-105°C
• Peso molecular: 139.580 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 139.04 Da
• Monoisotopic Mass: 139.04 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 62.700
• 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: 2

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