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

CAS: 1738-25-6 Cat. No.: D135309 Molecular Weight: 98.15 Beilstein Registry Number: 4(3)1265 EC Number: 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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Overview

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

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

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

FedEx DG Service

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

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488182152
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182152
• Canonical Smiles: 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
• Isomeric SMILES: CN(C)CCC#N
• WGK Germany: 1
• RTECS: UG1575000
• Molecular Weight: 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
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Trialkylamines

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in water: Completely miscible; Miscible with Alcohol
• Refractive Index: 1.426
• Flash Point(°F): 145.4 °F
• Flash Point(°C): 64°C
• Boil Point(°C): 171 °C
• Melt Point(°C): -43°C
• Molecular Weight: 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

References

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]