3-Dimethylaminopropionitrile - ≥98%(GC) , CAS No.1738-25-6

CAS: 1738-25-6 Cat. No.: D135309 Peso molecular: 98.15 Beilstein Registry Number: 4(3)1265 Número EC: 217-090-4

GRADE & PURITY ≥98%(GC)

Synonyms

DMAPN | 3-Dimethylaminopropannitril | NCGC00258916-01 | Tox21_201364 | WLN: NC2N1&1 | InChI=1/C5H10N2/c1-7(2)5-3-4-6/h3,5H2,1-2H | MFCD00001957 | D89696 | AKOS000206476 | EC 217-090-4 | 3-Dimethylaminopropiononitrile | 3-(Dimethylamino)propionitrile, for

Storage

Room temperature

Shipped In

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Descripción general

Catalyst similar to TEMED used to form oxygen free radicals from ammonium persulfate. Free radicals result in the polymerization of acrylamide and bis-acrylamide.

Specifications

Sinónimos

DMAPN | 3-Dimethylaminopropannitril | NCGC00258916-01 | Tox21_201364 | WLN: NC2N1&1 | InChI=1/C5H10N2/c1-7(2)5-3-4-6/h3, 5H2, 1-2H | MFCD00001957 | D89696 | AKOS000206476 | EC 217-090-4 | 3-Dimethylaminopropiononitrile | 3-(Dimethylamino)propionitrile, for

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

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Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488182152
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182152
• Sonrisas canónicas: CN(C)CCC#N
• IUPAC Name: 3-(dimethylamino)propanenitrile
• InChIKey: MTPJEFOSTIKRSS-UHFFFAOYSA-N
• INCHI: 1S/C5H10N2/c1-7(2)5-3-4-6/h3,5H2,1-2H3
• Isómeros SMILES: CN(C)CCC#N
• WGK Alemania: 1
• RTECS: UG1575000
• Peso molecular: 98.15
• Beilstein: 4(3)1265
• Reaxy-Rn: 773779
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773779&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Trialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Trialkylamines
• Alternative Parents: Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary aliphatic amine - Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility in water: Completely miscible; Miscible with Alcohol
• Índice de refracción: 1.426
• Punto de inflamación (°F): 145.4 °F
• Punto de inflamación (°C): 64°C
• Punto de ebullición (°C): 171 °C
• Punto de fusión (°C): -43°C
• Peso molecular: 98.150 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 98.0844 Da
• Monoisotopic Mass: 98.0844 Da
• Topological Polar Surface Area: 27.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 77.300
• 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. Bo Ning, Jun-Wen Cao, Xiao-Teng Zhou, He Qin, Ling-Xiao Li, Cheng-You Kan.  (2019)  Synthesis and characterization of a novel, reactive, yellow fluorescent organosilicon dye and its polysiloxanes.  JOURNAL OF CHEMICAL RESEARCH,      [PMID:] [10.1177/1747519819872098]

2. Xiaomin Zhang, Xi Feng, He Li, Jing Peng, Youting Wu, Xingbang Hu.  (2016)  Cyano-Containing Protic Ionic Liquids for Highly Selective Absorption of SO2 from CO2: Experimental Study and Theoretical Analysis.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.6b02588]