DL-3-Aminoisobutyric acid - 10mM in Water , CAS No.144-90-1

CAS: 144-90-1 Cat. No.: D421661 Peso molecular: 103.12 Beilstein Registry Number: 1720958 Número EC: 205-644-8

GRADE & PURITY 10mM in Water

Synonyms

(+/-)-3-Amino-2-methylpropanoate | ??-Methyl-??-alanine | 3-Aminoisobutanoic acid | 3-amino-isobutanoic acid | A-alanine | DL-3-Aminoisobutyric acid hydrate | 3-Amino-2-methylpropanoate | DTXSID10861821 | AB00933 | b-Aminoisobutyric acid | MFCD01076229 |

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

A beta-amino acid used for proteomics research.

Specifications

Sinónimos

(+/-)-3-Amino-2-methylpropanoate | ??-Methyl-??-alanine | 3-Aminoisobutanoic acid | 3-amino-isobutanoic acid | A-alanine | DL-3-Aminoisobutyric acid hydrate | 3-Amino-2-methylpropanoate | DTXSID10861821 | AB00933 | b-Aminoisobutyric acid | MFCD01076229 |

Especificaciones y pureza

10mM in Water

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

• Sonrisas canónicas: CC(CN)C(=O)O
• IUPAC Name: 3-amino-2-methylpropanoic acid
• InChIKey: QCHPKSFMDHPSNR-UHFFFAOYSA-N
• INCHI: 1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
• Isómeros SMILES: CC(CN)C(=O)O
• WGK Alemania: 3
• RTECS: UA2430000
• CAS alternativo: 10569-72-9
• Peso molecular: 103.12
• Beilstein: 1720958
• Reaxy-Rn: 1720958
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720958&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: Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta amino acid or derivatives - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organic oxide - Hydrocarbon derivative - 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: Amino fatty acids

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

• Punto de fusión (°C): 179-182°C
• Peso molecular: 103.120 g/mol
• XLogP3: -2.900
• 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: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1