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

CAS: 3399-73-3 Cat. No.: C153571 Molecular Weight: 125.22 Beilstein Registry Number: 12(3)162 EC Number: 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

Argon charged,Room temperature

Shipped In

Normal

Overview

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

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

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504755121
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755121
• Canonical Smiles: 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
• Isomeric SMILES: C1CCC(=CC1)CCN
• WGK Germany: 3
• UN Number: 2734
• Packing Group: II
• Molecular Weight: 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
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Primary amines
          • Level6 Monoalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: air sensitive ；Moisture sensitive
• Refractive Index: 1.4865
• Flash Point(°F): 136.4 °F
• Flash Point(°C): 57°C
• Boil Point(°C): 53-54 °C
• Molecular Weight: 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