(R)-3-Aminobutyric acid - ≥98% , CAS No.3775-73-3

CAS: 3775-73-3 Cat. No.: R184127 Molecular Weight: 103.1 EC Number: 868-214-4

GRADE & PURITY ≥98%

Synonyms

R-3-Aminobutyric acid | EN300-60248 | (R)-3-AminobutanoicAcid | (R)-3-AMINOBUTYRIC ACID | (R)-3-Amino-butyric acid | DTXSID10420710 | Butanoic acid, 3-amino-, (3R)- | AM20100009 | D-A-Homoalanine | STL556068 | (R)-3-Amino-butyricacid;(R)-HOMO-BETA-ALANINE

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

R-3-Aminobutyric acid | EN300-60248 | (R)-3-AminobutanoicAcid | (R)-3-AMINOBUTYRIC ACID | (R)-3-Amino-butyric acid | DTXSID10420710 | Butanoic acid, 3-amino-, (3R)- | AM20100009 | D-A-Homoalanine | STL556068 | (R)-3-Amino-butyricacid;(R)-HOMO-BETA-ALANINE

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488195610
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195610
• Canonical Smiles: CC(CC(=O)O)N
• IUPAC Name: (3R)-3-aminobutanoic acid
• InChIKey: OQEBBZSWEGYTPG-GSVOUGTGSA-N
• INCHI: 1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
• Isomeric SMILES: C[C@H](CC(=O)O)N
• Molecular Weight: 103.1
• Reaxy-Rn: 1720563
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720563&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class 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
• Class: 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: Fatty acids and conjugates Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta amino acid or derivatives - Fatty acid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Primary aliphatic amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• Specific Rotation[α]: -36° (C=1,H2O)
• Melt Point(°C): 212 °C
• Molecular Weight: 103.120 g/mol
• XLogP3: -3.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 103.063 Da
• Monoisotopic Mass: 103.063 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 72.100
• 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