4-aminobicyclo[2.2.1]heptane-1-carboxylic acid hydrochloride - ≥97% , CAS No.1384427-36-4

CAS: 1384427-36-4 Cat. No.: A173788 Peso molecular: 191.655 Número EC: 824-161-9

GRADE & PURITY ≥97%

Synonyms

4-aminobicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride | MFCD27987297 | 4-Aminobicyclo[2.2.1]heptane-1-carboxylic acid HCl | AS-53094 | SB13280 | EN300-100238 | EN300-267963 | (1s,4s)-4-aminobicyclo[2.2.1]heptane-1-carboxylic acid hydrochloride | SY

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

4-aminobicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride | MFCD27987297 | 4-Aminobicyclo[2.2.1]heptane-1-carboxylic acid HCl | AS-53094 | SB13280 | EN300-100238 | EN300-267963 | (1s, 4s)-4-aminobicyclo[2.2.1]heptane-1-carboxylic acid hydrochloride | SY

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1CC2(CCC1(C2)C(=O)O)N.Cl
• IUPAC Name: 4-aminobicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride
• InChIKey: LQJXNKWRMYPICI-UHFFFAOYSA-N
• INCHI: 1S/C8H13NO2.ClH/c9-8-3-1-7(5-8,2-4-8)6(10)11;/h1-5,9H2,(H,10,11);1H
• Isómeros SMILES: C1CC2(CCC1(C2)C(=O)O)N.Cl
• Peso molecular: 191.655
• Reaxy-Rn: 35291682
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35291682&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: Bicyclic monoterpenoids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Gamma amino acid or derivatives - Bicyclic monoterpenoid - Monoterpenoid - Norbornane monoterpenoid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrochloride - Hydrocarbon derivative - Aliphatic homopolycyclic 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

• Sensibilidad: Hygroscopic
• Peso molecular: 191.650 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 191.071 Da
• Monoisotopic Mass: 191.071 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 204.000
• 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: 2

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