Cyclohexylamine - Moligand™, CP, ≥98% , CAS No.108-91-8

CAS: 108-91-8 Cat. No.: C105034 Molecular Weight: 99.18 Beilstein Registry Number: 12,5 EC Number: 203-629-0

GRADE & PURITY Moligand™, CP, ≥98%

Synonyms

Cyclohexanamine | CYCLOHEXYLAMINE [MI] | n-cyclohexylamine | BIDD:ER0290 | BP-21278 | 4-12-00-00008 (Beilstein Handbook Reference) | Cyclohexylamine, 99.5% | Cyclohexylamine, ReagentPlus(R), 99% | MFCD00001486 | C00571 | DTXCID203996 | InChI=1/C6H13N/c7-6

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

Cyclohexanamine | CYCLOHEXYLAMINE [MI] | n-cyclohexylamine | BIDD:ER0290 | BP-21278 | 4-12-00-00008 (Beilstein Handbook Reference) | Cyclohexylamine, 99.5% | Cyclohexylamine, ReagentPlus(R), 99% | MFCD00001486 | C00571 | DTXCID203996 | InChI=1/C6H13N/c7-6

Specifications & Purity

Moligand™, CP, ≥98%

Storage

Protected from light, Room temperature

Shipped In

FedEx DG Service

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

Grade

CP, Moligand™

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CCC(CC1)N
• IUPAC Name: cyclohexanamine
• InChIKey: PAFZNILMFXTMIY-UHFFFAOYSA-N
• INCHI: 1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2
• Isomeric SMILES: C1CCC(CC1)N
• WGK Germany: 1
• UN Number: 2357
• Packing Group: II
• Molecular Weight: 99.18
• Beilstein: 12,5
• Reaxy-Rn: 471175
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471175&ln=

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: Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexylamine - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Amine - Aliphatic homomonocyclic 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: a small molecule

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

Associated Targets(Human)

SLC22A1 Tchem Solute carrier family 22 member 1 (646 Activities)

Discover Target: SLC22A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water and miscible with most organic solvents.
• Sensitivity: Light sensitive.
• Refractive Index: 1.46
• Flash Point(°C): 27 °C
• Boil Point(°C): 134°C
• Melt Point(°C): 18 °C
• Molecular Weight: 99.170 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 99.1048 Da
• Monoisotopic Mass: 99.1048 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 46.100
• 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

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