2-(1-Cyclohexenyl)ethylamine - ≥98%(GC) , CAS No.3399-73-3

CAS: 3399-73-3 Cat. No.: C153571 Summenformel: C₈H₁₅N Molekulargewicht: 125.22 Beilstein Registry Number: 12(3)162 EG-Nummer: 222-267-4

GRADE & PURITY ≥98%(GC)

Synonyms

[1,2-Bis(diphenylphosphino)ethane] palladium(II) Dichloride | NSC26453 | NSC-26453 | Cyclohexenylethylamine | W-109892 | beta-(1-Cyclohexenyl)ethylamine | MFCD00012058 | STL141069 | 2-(1-Cyclohexenyl)ethylamine | 2-(1-cyclohexenyl)-ethylamine | EN300-2136

Storage

Room temperature,Argon charged

Shipped In

Normal

Übersicht

2-(1-Cyclohexenyl)ethylamine has been employed:
as substrate for allylic hydroxylation reaction；
in preparation of thin films and single crystals of 2-(1-cyclohexenyl)ethyl ammonium lead iodide, used to fabricate optoelectronic-compatible heterostructures

Specifications

Synonyme

[1,2-Bis(diphenylphosphino)ethane] palladium(II) Dichloride | NSC26453 | NSC-26453 | Cyclohexenylethylamine | W-109892 | beta-(1-Cyclohexenyl)ethylamine | MFCD00012058 | STL141069 | 2-(1-Cyclohexenyl)ethylamine | 2-(1-cyclohexenyl)-ethylamine | EN300-2136

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

504755121

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755121

Kanonisches Lächeln

C1CCC(=CC1)CCN

IUPAC Name

2-(cyclohexen-1-yl)ethanamine

InChIKey

IUDMXOOVKMKODN-UHFFFAOYSA-N

INCHI

1S/C8H15N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7,9H2

Isomere SMILES

C1CCC(=CC1)CCN

WGK Deutschland

3

UN-Nummer

2734

Verpackungsgruppe

II

Molekulargewicht

125.22

Beilstein

12(3)162

Reaxy-Rn

774030

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774030&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass Amines
        • Ebene5 Primary amines
          • Ebene6 Monoalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Primary amines
• Direct Parent: Monoalkylamines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Organopnictogen compound - Hydrocarbon derivative - Primary aliphatic amine - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air sensitive ；Moisture sensitive
• Brechungsindex: 1.4865
• Flammpunkt (°F): 136.4 °F
• Flammpunkt (°C): 57°C
• Siedepunkt (°C): 53-54 °C
• Molekulargewicht: 125.210 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 125.12 Da
• Monoisotopic Mass: 125.12 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 105.000
• 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