N-Ethylcyclohexylamine - ≥99%(GC) , CAS No.5459-93-8

CAS: 5459-93-8 Cat. No.: E124549 Molecular Weight: 127.23 Beilstein Registry Number: 2070280 EC Number: 226-733-8

GRADE & PURITY ≥99%(GC)

Synonyms

N-Cyclohexyl-N-ethylamine | InChI=1/C8H17N/c1-2-9-8-6-4-3-5-7-8/h8-9H,2-7H2,1H | E0506 | NCGC00341960-01 | N-Ethylcyclohexanamine | E79211 | Cyclohexanamine, N-ethyl- | Cyclohexane, (ethylamino)- | N-Ethyl(cyclohexyl)amine | Vulkacit HX | EC 226-733-8 | S

Storage

Room temperature,Argon charged,Cool

Shipped In

Normal

Overview

N-Ethylcyclohexylamine was used in the synthesis of a series of isatin-N-Mannich bases

Specifications

Synonyms

N-Cyclohexyl-N-ethylamine | InChI=1/C8H17N/c1-2-9-8-6-4-3-5-7-8/h8-9H, 2-7H2, 1H | E0506 | NCGC00341960-01 | N-Ethylcyclohexanamine | E79211 | Cyclohexanamine, N-ethyl- | Cyclohexane, (ethylamino)- | N-Ethyl(cyclohexyl)amine | Vulkacit HX | EC 226-733-8 | S

Specifications & Purity

≥99%(GC)

Storage

Room temperature, Argon charged, Cool

Shipped In

Normal

Purity

≥99%(GC)

Names and Identifiers

• Canonical Smiles: CCNC1CCCCC1
• IUPAC Name: N-ethylcyclohexanamine
• InChIKey: AGVKXDPPPSLISR-UHFFFAOYSA-N
• INCHI: 1S/C8H17N/c1-2-9-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3
• Isomeric SMILES: CCNC1CCCCC1
• WGK Germany: 3
• RTECS: GX1225000
• UN Number: 1993
• Packing Group: I
• Molecular Weight: 127.23
• Beilstein: 2070280
• Reaxy-Rn: 2070280
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2070280&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: Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexylamine - Secondary amine - Secondary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - 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: 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: Air sensitive
• Refractive Index: 1.4500 - 1.4530
• Flash Point(°C): 30°C
• Boil Point(°C): 164°C
• Molecular Weight: 127.230 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 127.136 Da
• Monoisotopic Mass: 127.136 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 65.000
• 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: 1