trans-4-morpholinocyclohexanamine;dihydrochloride - ≥97% , CAS No.412356-24-2

CAS: 412356-24-2 Cat. No.: T633848 Molecular Weight: 257.2 EC Number: 866-150-1 PubChem CID: 67126408

GRADE & PURITY ≥97%

Synonyms

4-(morpholin-4-yl)cyclohexan-1-amine dihydrochloride | AKOS025403800 | (1r,4r)-4-Morpholinocyclohexanamine dihydrochloride | CHEBI:75562 | 4-morpholin-4-ylcyclohexan-1-amine;dihydrochloride | Z4965854791 | 2639412-98-7 | LGEMJEFZCXOGLZ-UHFFFAOYSA-N | A914

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

4-(morpholin-4-yl)cyclohexan-1-amine dihydrochloride | AKOS025403800 | (1r, 4r)-4-Morpholinocyclohexanamine dihydrochloride | CHEBI:75562 | 4-morpholin-4-ylcyclohexan-1-amine;dihydrochloride | Z4965854791 | 2639412-98-7 | LGEMJEFZCXOGLZ-UHFFFAOYSA-N | A914

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CC(CCC1N)N2CCOCC2.Cl.Cl
• IUPAC Name: 4-morpholin-4-ylcyclohexan-1-amine;dihydrochloride
• InChIKey: LGEMJEFZCXOGLZ-UHFFFAOYSA-N
• INCHI: 1S/C10H20N2O.2ClH/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12;;/h9-10H,1-8,11H2;2*1H
• Isomeric SMILES: C1CC(CCC1N)N2CCOCC2.Cl.Cl
• Alternate CAS: 412356-24-2
• PubChem CID: 67126408
• Molecular Weight: 257.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Cyclohexylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Cyclohexylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexylamines
• Alternative Parents: Morpholines Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Cyclohexylamine - Morpholine - Oxazinane - Tertiary aliphatic amine - Tertiary amine - Dialkyl ether - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Amine - Organooxygen compound - Primary amine - Primary aliphatic amine - Hydrochloride - Hydrocarbon derivative - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclohexylamines. These are organic compounds containing a cyclohexylamine moiety, which consist of a cyclohexane ring attached to an amine group.
• 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

• Molecular Weight: 257.200 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 256.111 Da
• Monoisotopic Mass: 256.111 Da
• Topological Polar Surface Area: 38.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 149.000
• 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: 3

XLogP3