N,N-Dimethylmethyleneammonium Iodide - ≥97% , CAS No.33797-51-2

CAS: 33797-51-2 Cat. No.: N159555 Molecular Weight: 185.01 Beilstein Registry Number: 1731020 EC Number: 251-680-2 PubChem CID: 2724133

GRADE & PURITY ≥97%

Synonyms

Dimethyl(methylene)ammounium iodide | dimethyl-methylene-ammonium iodide | DTXSID10369115 | BCP24762 | UNII-5C42I004S1 | N,N-DIMETHYLAMINOMETHYLENEAMMONIUM IODIDE | EINECS 251-680-2 | ESCHENMOSER'S REAGENT | D1646 | MFCD00011810 | dimethyl methylene ammon

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

N,N-Dimethylmethyleneiminium iodide is useful reagent for many synthetic applications, especially aminomethylation and conversion of ketones to α,β−unsaturated enones.

Specifications

Synonyms

Dimethyl(methylene)ammounium iodide | dimethyl-methylene-ammonium iodide | DTXSID10369115 | BCP24762 | UNII-5C42I004S1 | N, N-DIMETHYLAMINOMETHYLENEAMMONIUM IODIDE | EINECS 251-680-2 | ESCHENMOSER'S REAGENT | D1646 | MFCD00011810 | dimethyl methylene ammon

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488192249
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192249
• Canonical Smiles: C[N+](=C)C.[I-]
• IUPAC Name: dimethyl(methylidene)azanium;iodide
• InChIKey: VVDUZZGYBOWDSQ-UHFFFAOYSA-M
• INCHI: 1S/C3H8N.HI/c1-4(2)3;/h1H2,2-3H3;1H/q+1;/p-1
• Isomeric SMILES: C[N+](=C)C.[I-]
• WGK Germany: 3
• PubChem CID: 2724133
• Molecular Weight: 185.01
• Beilstein: 1731020
• Reaxy-Rn: 3594966

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Class Propargyl-type 1,3-dipolar organic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Class: Propargyl-type 1,3-dipolar organic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Propargyl-type 1,3-dipolar organic compounds
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organic iodide salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as propargyl-type 1,3-dipolar organic compounds. These are organic 1,3-dipolar compounds with the general structure X#N+-Z- <-> X-=N+=Z <-> X-=N-Z+ <-> X-N=Z (X = C or O, Z = C, N, or O).
• 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

• Sensitivity: Light Sensitive,Moisture Sensitive,Heat Sensitive
• Molecular Weight: 185.010 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 184.97 Da
• Monoisotopic Mass: 184.97 Da
• Topological Polar Surface Area: 3.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 26.300
• 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: 2

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