ethyl 4-aminocyclohexane-1-carboxylate hydrochloride - ≥97% , CAS No.90950-09-7

CAS: 90950-09-7 Cat. No.: E357363 Peso molecular: 207.7

GRADE & PURITY ≥97%

Synonyms

C75876 | Cyclohexanecarboxylic acid, 4-amino-, ethyl ester, hydrochloride, cis- | DS-9419 | cis-ethyl-4-aminocyclohexanecarboxylate hydrochloride | SCHEMBL385320 | AS-44952 | TRANS ETHYL 4-AMINOCYCLOHEXANECARBOXYLATE HCL | AM61362 | ethyl cis-4-aminocyclo

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

C75876 | Cyclohexanecarboxylic acid, 4-amino-, ethyl ester, hydrochloride, cis- | DS-9419 | cis-ethyl-4-aminocyclohexanecarboxylate hydrochloride | SCHEMBL385320 | AS-44952 | TRANS ETHYL 4-AMINOCYCLOHEXANECARBOXYLATE HCL | AM61362 | ethyl cis-4-aminocyclo

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488197603
• Sonrisas canónicas: CCOC(=O)C1CCC(CC1)N.Cl
• IUPAC Name: ethyl 4-aminocyclohexane-1-carboxylate;hydrochloride
• InChIKey: UPVSMFHQPMRMLP-UHFFFAOYSA-N
• INCHI: 1S/C9H17NO2.ClH/c1-2-12-9(11)7-3-5-8(10)6-4-7;/h7-8H,2-6,10H2,1H3;1H
• Isómeros SMILES: CCOC(=O)C1CCC(CC1)N.Cl
• Peso molecular: 207.7
• Reaxy-Rn: 18966152
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18966152&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 Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Delta amino acid or derivatives - Cyclohexylamine - Carboxylic acid ester - Monocarboxylic acid or derivatives - Amine - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - 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

• Índice de refracción: n20D1.47 (Predicted)
• Punto de ebullición (°C): ~235.3° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 37.88° C (Predicted)
• Peso molecular: 207.700 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 207.103 Da
• Monoisotopic Mass: 207.103 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 151.000
• 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

XLogP3