3,3'-Iminodipropionitrile - ≥98% , CAS No.111-94-4

CAS: 111-94-4 Cat. No.: I419708 Peso molecular: 123.16 Número EC: 203-922-3

GRADE & PURITY ≥98%

Synonyms

EINECS 270-194-1 | Di(2-cyanoethyl)amine | Ethanamine, 2-cyano-N-(2-cyanoethyl)- | 3,3'-Iminodipropiononitrile | Bis-(2-kyanethyl)amin | J-002663 | Bis-(2-kyanethyl)amin [Czech] | BRN 1746455 | NCGC00254674-01 | 3,3'-Iminobis(propanenitrile) | Bis-(3-cyan

Storage

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

Shipped In

Wet ice,FedEx DG Service

Specifications

Sinónimos

EINECS 270-194-1 | Di(2-cyanoethyl)amine | Ethanamine, 2-cyano-N-(2-cyanoethyl)- | 3, 3'-Iminodipropiononitrile | Bis-(2-kyanethyl)amin | J-002663 | Bis-(2-kyanethyl)amin [Czech] | BRN 1746455 | NCGC00254674-01 | 3, 3'-Iminobis(propanenitrile) | Bis-(3-cyan

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

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

Enviado en

Wet ice, FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C(CNCCC#N)C#N
• IUPAC Name: 3-(2-cyanoethylamino)propanenitrile
• InChIKey: SBAJRGRUGUQKAF-UHFFFAOYSA-N
• INCHI: 1S/C6H9N3/c7-3-1-5-9-6-2-4-8/h9H,1-2,5-6H2
• Isómeros SMILES: C(CNCCC#N)C#N
• WGK Alemania: 2
• RTECS: UG2975000
• Número ONU: 3334
• Peso molecular: 123.16
• Reaxy-Rn: 1746455
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1746455&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: Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary amine - Nitrile - Carbonitrile - Secondary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - 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

• Solubilidad: Soluble in water.
• Sensibilidad: Air and moisture sensitive
• Índice de refracción: 1.4610 to 1.4650
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 178°C
• Punto de ebullición (°C): 205°C/25mmHg
• Peso molecular: 123.160 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 123.08 Da
• Monoisotopic Mass: 123.08 Da
• Topological Polar Surface Area: 59.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 126.000
• 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

Referencias

1. Guangbin Bao, Shinuo Fan, Chunyan Hu, Chen Li, Fei Ma, Guijun Wang, Hongjie Fan, Qing Wang.  (2024)  CDK5-mediated rearrangement of vimentin during Duck Tembusu virus infection inhibits viral replication.  VETERINARY MICROBIOLOGY,      [PMID:38574695] [10.1016/j.vetmic.2024.110071]

2. Jingru Yu, Jiateng Su, Guo Yu, Zhongyang Zhang, Yue Wu, Gong Xiao, Xin Zhang, Juanjuan Hao.  (2025)  Metabolic abnormalities of the cortico‑striato‑thalamo‑cortical circuit of rats with tic disorder.  Molecular Medicine Reports,  32  (2): (1-12).  [PMID:40511541] [10.3892/mmr.2025.13592]

3. Wu Bing-xin, Ma Jun-ye, Huang Xi-chang, Liang Xue-song, Ning Bai-le, Wu Qian, Wang Shan-ze, Zhou Jun-he, Fu Wen-bin.  (2025)  Acupuncture as A Potential Therapeutic Approach for Tourette Syndrome: Modulation of Neurotransmitter Levels and Gut Microbiota.  Chinese Journal of Integrative Medicine,      [PMID:40553254] [10.1007/s11655-025-4016-5]