6-Aminocapronitrile - ≥98% , CAS No.2432-74-8

CAS: 2432-74-8 Cat. No.: A303171 Peso molecular: 112.17 Número EC: 219-409-2

GRADE & PURITY ≥98%

Synonyms

Hexanenitrile, amino- | 6-Amino capronitrile | Q27289960 | omega-Aminocapronitrile | EINECS 219-409-2 | SCHEMBL185797 | SB75589 | .omega.-Aminocapronitrile | NSC510 | NSC-510 | AKOS006343690 | J-015446 | AS-57256 | 6-Aminohexanenitrile, AldrichCPR | HSDB

Storage

Conservar a 2-8°C,Cargado con argón,Desecado

Shipped In

Hielo húmedo

Specifications

Sinónimos

Hexanenitrile, amino- | 6-Amino capronitrile | Q27289960 | omega-Aminocapronitrile | EINECS 219-409-2 | SCHEMBL185797 | SB75589 | .omega.-Aminocapronitrile | NSC510 | NSC-510 | AKOS006343690 | J-015446 | AS-57256 | 6-Aminohexanenitrile, AldrichCPR | HSDB

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, Cargado con argón, Desecado

Enviado en

Hielo húmedo

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504752798
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752798
• Sonrisas canónicas: C(CCC#N)CCN
• IUPAC Name: 6-aminohexanenitrile
• InChIKey: KBMSFJFLSXLIDJ-UHFFFAOYSA-N
• INCHI: 1S/C6H12N2/c7-5-3-1-2-4-6-8/h1-5,7H2
• Isómeros SMILES: C(CCC#N)CCN
• Peso molecular: 112.17
• Reaxy-Rn: 1744174
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744174&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Organic cyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitriles
• Alternative Parents: Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Amine - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
• 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

• Punto de inflamación (°C): 93.6 °C
• Punto de ebullición (°C): 200.13 °C at 760 mmHg
• Punto de fusión (°C): -31.3 °C
• Peso molecular: 112.170 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 112.1 Da
• Monoisotopic Mass: 112.1 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 79.800
• 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

Referencias

1. Zhi-Rong Fu, Xin Zhang, Jing-Yuan Hao, Yu Han, Yu-Wei Xiang, Bao-Ju Wang, Xiang-Sen Wu, Yong Luo.  (2025)  An Efficient Co/NC Catalyst for the Hydrogenation of ADN to HMDA: Synergistic Effect of Co0 Content and Dispersion.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.5c03889]