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

CAS: 2432-74-8 Cat. No.: A303171 Molecular Weight: 112.17 EC Number: 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

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

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

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504752798
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752798
• Canonical Smiles: 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
• Isomeric SMILES: C(CCC#N)CCN
• Molecular Weight: 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
    • Class Organonitrogen compounds
      • Subclass Organic cyanides

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

Chemical and Physical Properties

• Flash Point(°C): 93.6 °C
• Boil Point(°C): 200.13 °C at 760 mmHg
• Melt Point(°C): -31.3 °C
• Molecular Weight: 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

References

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]