2-Aminocyclohexanol (cis- and trans- mixture) - ≥98%(GC), mixture of cis and trans , CAS No.6850-38-0

CAS: 6850-38-0 Cat. No.: A135671 Peso molecular: 115.18 Beilstein Registry Number: 13(4)540 Número EC: 640-699-5

GRADE & PURITY ≥98%(GC), mixture of cis and trans

Synonyms

FT-0660038 | MFCD12407412 | SY056778 | FT-0771015 | MFCD00191368 | J-500410 | FT-0660463 | SY026110 | FT-0658678 | (+/-)-2-aminocyclohexanol | Cyclohexanol,2-amino-,trans- | InChI=1/C6H13NO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4,7H2 | FT-0660464 | 1-Amino-2-hydro

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

FT-0660038 | MFCD12407412 | SY056778 | FT-0771015 | MFCD00191368 | J-500410 | FT-0660463 | SY026110 | FT-0658678 | (+/-)-2-aminocyclohexanol | Cyclohexanol, 2-amino-, trans- | InChI=1/C6H13NO/c7-5-3-1-2-4-6(5)8/h5-6, 8H, 1-4, 7H2 | FT-0660464 | 1-Amino-2-hydro

Especificaciones y pureza

≥98%(GC), mixture of cis and trans

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504753115
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753115
• Sonrisas canónicas: C1CCC(C(C1)N)O
• IUPAC Name: 2-aminocyclohexan-1-ol
• InChIKey: PQMCFTMVQORYJC-UHFFFAOYSA-N
• INCHI: 1S/C6H13NO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4,7H2
• Isómeros SMILES: C1CCC(C(C1)N)O
• Peso molecular: 115.18
• Beilstein: 13(4)540
• Reaxy-Rn: 2203206
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2203206&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclohexanols
• Alternative Parents: Cyclohexylamines Cyclic alcohols and derivatives 1,2-aminoalcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexylamine - Cyclohexanol - Cyclic alcohol - 1,2-aminoalcohol - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
• 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 Methanol
• Sensibilidad: Moisture & heat sensitive
• Peso molecular: 115.170 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 115.1 Da
• Monoisotopic Mass: 115.1 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1