cis-3-Aminocyclohexanecarboxylic Acid - ≥96%(GC)(T) , CAS No.16636-51-4

CAS: 16636-51-4 Cat. No.: C153901 Peso molecular: 143.19 Beilstein Registry Number: 14(3)851 Número EC: 819-557-3

GRADE & PURITY ≥96%(GC)(T)

Synonyms

(1R,3S)-3-Aminocyclohexanecarboxylicacid | Cyclohexanecarboxylic acid, 3-amino-, (1R,3S)- | SCHEMBL1543609 | Cyclohexanecarboxylic acid, 3-amino-, (1R,3S)- (9CI) | rel-(1R,3S)-3-Aminocyclohexanecarboxylic acid | (1R,3S)-rel-3-Aminocyclohexanecarboxylic ac

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(1R, 3S)-3-Aminocyclohexanecarboxylicacid | Cyclohexanecarboxylic acid, 3-amino-, (1R, 3S)- | SCHEMBL1543609 | Cyclohexanecarboxylic acid, 3-amino-, (1R, 3S)- (9CI) | rel-(1R, 3S)-3-Aminocyclohexanecarboxylic acid | (1R, 3S)-rel-3-Aminocyclohexanecarboxylic ac

Especificaciones y pureza

≥96%(GC)(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥96%(GC)(T)

Nombres e identificadores

• Pubchem Sid: 488194243
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194243
• Sonrisas canónicas: C1CC(CC(C1)N)C(=O)O
• IUPAC Name: (1R,3S)-3-aminocyclohexane-1-carboxylic acid
• InChIKey: CKTUXQBZPWBFDX-RITPCOANSA-N
• INCHI: 1S/C7H13NO2/c8-6-3-1-2-5(4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6+/m1/s1
• Isómeros SMILES: C1C[C@H](C[C@H](C1)N)C(=O)O
• Peso molecular: 143.19
• Beilstein: 14(3)851
• Reaxy-Rn: 2802519
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802519&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 Gamma 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: Gamma amino acids and derivatives
• Alternative Parents: Cyclohexylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Gamma amino acid or derivatives - Cyclohexylamine - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Organic oxide - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma 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

• Solubilidad: Soluble in water
• Punto de fusión (°C): 278 °C
• Peso molecular: 143.180 g/mol
• XLogP3: -2.200
• 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