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

CAS: 3399-73-3 Cat. No.: C153571 Peso molecular: 125.22 Beilstein Registry Number: 12(3)162 Número EC: 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

Descripción general

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

Sinónimos

[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

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504755121
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755121
• Sonrisas canónicas: 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
• Isómeros SMILES: C1CCC(=CC1)CCN
• WGK Alemania: 3
• Número ONU: 2734
• Grupo de embalaje: II
• Peso molecular: 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
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Primary amines
          • Level6 Monoalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: air sensitive ；Moisture sensitive
• Índice de refracción: 1.4865
• Punto de inflamación (°F): 136.4 °F
• Punto de inflamación (°C): 57°C
• Punto de ebullición (°C): 53-54 °C
• Peso molecular: 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