cis-4-Aminocyclohexanol - ≥98% , CAS No.40525-78-8

CAS: 40525-78-8 Cat. No.: C589031 Molecular Weight: 115.18 EC Number: 229-943-8,248-492-8

GRADE & PURITY ≥98%

Synonyms

AM20070555 | EC 248-492-8 | F0001-0886 | J-514424 | trans-4-Hydroxycyclohexylamine | trans-4-hydroxy-cyclohexylamine | A-ol | BP-30237 | AMY6164 | Cyclohexanol,4-amino-,trans- | FT-0689579 | IMLXLGZJLAOKJN-UHFFFAOYSA-N | NSC772497 | NSC-772497 | SB37075 |

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

AM20070555 | EC 248-492-8 | F0001-0886 | J-514424 | trans-4-Hydroxycyclohexylamine | trans-4-hydroxy-cyclohexylamine | A-ol | BP-30237 | AMY6164 | Cyclohexanol, 4-amino-, trans- | FT-0689579 | IMLXLGZJLAOKJN-UHFFFAOYSA-N | NSC772497 | NSC-772497 | SB37075 |

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CC(CCC1N)O
• IUPAC Name: 4-aminocyclohexan-1-ol
• InChIKey: IMLXLGZJLAOKJN-UHFFFAOYSA-N
• INCHI: 1S/C6H13NO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4,7H2
• Isomeric SMILES: C1CC(CCC1N)O
• Alternate CAS: 27489-62-9,6850-65-3,40525-78-8
• MeSH Entry Terms: (cis)-isomer of 4-aminocyclohexanol;(trans)-isomer of 4-aminocyclohexanol;4-aminocyclohexanol;HCl(cis)-isomer of 4-aminocyclohexanol;HCl(trans)-isomer of 4-aminocyclohexanol;oxalate(cis)-isomer of 4-aminocyclohexanol;oxalate(trans)-isomer of 4-aminocycloh
• Molecular Weight: 115.18
• Reaxy-Rn: 2801659
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2801659&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclohexanols
• Alternative Parents: Cyclohexylamines Cyclic alcohols and derivatives Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexylamine - Cyclohexanol - Cyclic alcohol - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 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: 66.900
• 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

References

1. Yue Jiang, Shuai Wang, Weifu Dong, Tatsuo Kaneko, Mingqing Chen, Dongjian Shi.  (2023)  High-Strength, Degradable and Recyclable Epoxy Resin Based on Imine Bonds for Its Carbon-Fiber-Reinforced Composites.  Materials,  16  (4): (1604).  [PMID:36837235] [10.3390/ma16041604]