β-Alanine methyl ester hydrochloride - ≥99% , CAS No.3196-73-4

CAS: 3196-73-4 Cat. No.: A104532 Summenformel: C₄H₉NO₂·HCl Molekulargewicht: 139.58 Beilstein Registry Number: 3556748 EG-Nummer: 831-677-8

GRADE & PURITY ≥99%

Synonyms

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

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥99%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

504761195

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761195

Kanonisches Lächeln

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

Isomere SMILES

COC(=O)CCN.Cl

WGK Deutschland

3

Molekulargewicht

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
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Beta amino acids 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
• 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water
• Empfindlichkeit: heat sensitive&Moisture sensitive.
• Schmelzpunkt (°C): 103-105°C
• Molekulargewicht: 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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