β-Alaninamide Hydrochloride - ≥98% , CAS No.64017-81-8

CAS: 64017-81-8 Cat. No.: B135870 Summenformel: C₃H₈N₂O·HCl Molekulargewicht: 124.57 EG-Nummer: 878-069-9

GRADE & PURITY ≥98%

Synonyms

beta-Alaninamide--hydrogen chloride (1/1) | 3-Aminopropanamide HCl | H-beta-Ala-NH HCl | 3-Aminopropanamide hydrochloride, AldrichCPR | AKOS015847887 | beta-alanine amide hydrochloride | H--Ala-NH HCl | AC-427 | H- | Queleton | 3-Aminopropionamide Hydroch

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

beta-Alaninamide--hydrogen chloride (1/1) | 3-Aminopropanamide HCl | H-beta-Ala-NH HCl | 3-Aminopropanamide hydrochloride, AldrichCPR | AKOS015847887 | beta-alanine amide hydrochloride | H--Ala-NH HCl | AC-427 | H- | Queleton | 3-Aminopropionamide Hydroch

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488200078

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488200078

Kanonisches Lächeln

C(CN)C(=O)N.Cl

IUPAC Name

3-aminopropanamide;hydrochloride

InChIKey

GAGJMOQGABUOBK-UHFFFAOYSA-N

INCHI

1S/C3H8N2O.ClH/c4-2-1-3(5)6;/h1-2,4H2,(H2,5,6);1H

Isomere SMILES

C(CN)C(=O)N.Cl

Molekulargewicht

124.57

Reaxy-Rn

3909917

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3909917&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: Primary carboxylic acid amides Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta amino acid or derivatives - Primary carboxylic acid amide - Carboxamide group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Empfindlichkeit: Air sensitive
• Schmelzpunkt (°C): 153 °C
• Molekulargewicht: 124.570 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 124.04 Da
• Monoisotopic Mass: 124.04 Da
• Topological Polar Surface Area: 69.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 52.800
• 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

XLogP3