cis-2-Amino-1-cyclohexanecarboxylic acid - ≥95% , CAS No.5691-20-3

CAS: 5691-20-3 Cat. No.: C349166 Fórmula: C₇H₁₃NO₂ Peso molecular: 143.19

GRADE & PURITY ≥95%

Synonyms

AKOS025311413 | 2-Aminocyclohexanecarboxylic acid # | Cyclohexanecarboxylic acid, 2-amino-, cis- | (1R,2S)-(-)-2-Amino-cyclohexanecarboxylic acid | cis-2-Aminocyclohexanecarboxylic acid, >=95.0% (NT) | (1R,2S)-2-aminocyclohexanecarboxylic acid | (1R,2S)-2

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS025311413 | 2-Aminocyclohexanecarboxylic acid # | Cyclohexanecarboxylic acid, 2-amino-, cis- | (1R,2S)-(-)-2-Amino-cyclohexanecarboxylic acid | cis-2-Aminocyclohexanecarboxylic acid, >=95.0% (NT) | (1R,2S)-2-aminocyclohexanecarboxylic acid | (1R,2S)-2

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 488192298
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192298
• Sorrisos canónicos: C1CCC(C(C1)C(=O)O)N
• IUPAC Name: (1R,2S)-2-aminocyclohexane-1-carboxylic acid
• InChIKey: USQHEVWOPJDAAX-RITPCOANSA-N
• INCHI: 1S/C7H13NO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6+/m1/s1
• SMILES isoméricas: C1CC[C@@H]([C@@H](C1)C(=O)O)N
• Peso molecular: 143.19
• Reaxy-Rn: 2935787
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2935787&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe 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
• Classe: 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: Cyclohexylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Beta amino acid or derivatives - Cyclohexylamine - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Aliphatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Ponto de fusão (°C): 240° C (dec.)
• Peso molecular: 143.180 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 143.095 Da
• Monoisotopic Mass: 143.095 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 136.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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