(R)-3-Amino-5-methyl-hexanoic acid - ≥98% , CAS No.91298-67-8

CAS: 91298-67-8 Cat. No.: R188065 Peso molecular: 145.2 Número EC: 676-223-8

GRADE & PURITY ≥98%

Synonyms

(R)-3-amino-5-methyl-hexanoic acid, AldrichCPR | AS-35963 | AKOS016843013 | J-800386 | (r)-3-amino-5-methylhexanoic acid | (R)-3-Amino-5-methyl-hexanoic acid | Metyl thiobutyrate | MFCD01076255 | SCHEMBL2763515 | EN300-816457 | DTXSID80426163 | (3R)-3-ami

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(R)-3-amino-5-methyl-hexanoic acid, AldrichCPR | AS-35963 | AKOS016843013 | J-800386 | (r)-3-amino-5-methylhexanoic acid | (R)-3-Amino-5-methyl-hexanoic acid | Metyl thiobutyrate | MFCD01076255 | SCHEMBL2763515 | EN300-816457 | DTXSID80426163 | (3R)-3-ami

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(C)CC(CC(=O)O)N
• IUPAC Name: (3R)-3-amino-5-methylhexanoic acid
• InChIKey: MLYMSIKVLAPCAK-ZCFIWIBFSA-N
• INCHI: 1S/C7H15NO2/c1-5(2)3-6(8)4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m1/s1
• Isómeros SMILES: CC(C)C[C@H](CC(=O)O)N
• Peso molecular: 145.2
• Reaxy-Rn: 1722065
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1722065&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: Medium-chain fatty acids Branched fatty acids Amino fatty acids Quaternary ammonium salts Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta amino acid or derivatives - Medium-chain fatty acid - Amino fatty acid - Branched fatty acid - Fatty acyl - Fatty acid - Quaternary ammonium salt - Carboxylic acid salt - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Primary aliphatic amine - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - 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

• Peso molecular: 145.200 g/mol
• XLogP3: -1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 145.11 Da
• Monoisotopic Mass: 145.11 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 112.000
• 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