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

CAS: 16636-51-4 Cat. No.: C153901 Fórmula: C₇H₁₃NO₂ 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

Preguntas frecuentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥96% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 16636-51-4, the molecular formula is C7H13NO2, and the molecular weight is 143.19 g/mol. InChIKey CKTUXQBZPWBFDX-RITPCOANSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.