ácido 4-aminociclohexanocarboxílico - ≥95%, mezcla de isómeros , CAS No.1776-53-0

CAS: 1776-53-0 Cat. No.: A124585 Peso molecular: 143.19 Beilstein Registry Number: 14(4)981 Número EC: 605-807-7

GRADE & PURITY ≥95%, mixture of isomers

Synonyms

4-Aminocyclohexanecarboxylic acid | 4-Amino-cyclohexanecarboxylic acid | 4-aminocyclohexane-carboxylic acid | SY029216 | Cefapirin (BAN) | J-525018 | NoName_367 | trans 4-amino-cyclohexanecarboxylic acid | cis-4-Aminocyclohexanecarboxylic acid | cis-4-ami

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-Aminocyclohexanecarboxylic acid | 4-Amino-cyclohexanecarboxylic acid | 4-aminocyclohexane-carboxylic acid | SY029216 | Cefapirin (BAN) | J-525018 | NoName_367 | trans 4-amino-cyclohexanecarboxylic acid | cis-4-Aminocyclohexanecarboxylic acid | cis-4-ami

Especificaciones y pureza

≥95%, mezcla de isómeros

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488188470
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188470
• Sonrisas canónicas: C1CC(CCC1C(=O)O)N
• IUPAC Name: 4-aminocyclohexane-1-carboxylic acid
• InChIKey: DRNGLYHKYPNTEA-UHFFFAOYSA-N
• INCHI: 1S/C7H13NO2/c8-6-3-1-5(2-4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)
• Isómeros SMILES: C1CC(CCC1C(=O)O)N
• Peso molecular: 143.19
• Beilstein: 14(4)981
• Reaxy-Rn: 1562988
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1562988&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 Delta 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: Delta 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: Delta amino acid or derivatives - Cyclohexylamine - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Organopnictogen compound - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 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: Solubility in Water almost transparency；
• Sensibilidad: Moisture sensitive
• 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: 128.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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