1,3-Dimethyl-2-imidazolidinone - anhydrous, ≥99.5%(GC), H2O ≤0.04% , CAS No.80-73-9

CAS: 80-73-9 Cat. No.: D131598 Molecular Weight: 114.15 Beilstein Registry Number: 108808 EC Number: 201-304-8

GRADE & PURITY Anhydrous Grade, ≥99.5%(GC), H2O ≤0.04%

Synonyms

1,3-Dimethyl-imidazolidin-2-one | 1,3-Dimethylimidazolidin-2-one | EC 201-304-8 | 1,3-dimethyl imidazolidin-2-one | 1,3-Dimethylethyleneurea | DTXSID1073153 | N,N'-dimethylimidazoline-2-one | 1,3-Dimethyl-2-imidazolidinone, absolute, over molecular sieve

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1, 3-Dimethyl-imidazolidin-2-one | 1, 3-Dimethylimidazolidin-2-one | EC 201-304-8 | 1, 3-dimethyl imidazolidin-2-one | 1, 3-Dimethylethyleneurea | DTXSID1073153 | N, N'-dimethylimidazoline-2-one | 1, 3-Dimethyl-2-imidazolidinone, absolute, over molecular sieve

Specifications & Purity

anhydrous, ≥99.5%(GC), H2O ≤0.04%

Storage

Room temperature

Shipped In

Normal

Grade

Anhydrous Grade

Purity

≥99.5%(GC)

Names and Identifiers

• Canonical Smiles: CN1CCN(C1=O)C
• IUPAC Name: 1,3-dimethylimidazolidin-2-one
• InChIKey: CYSGHNMQYZDMIA-UHFFFAOYSA-N
• INCHI: 1S/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3
• Isomeric SMILES: CN1CCN(C1=O)C
• WGK Germany: 3
• RTECS: NJ0660000
• UN Number: 2810
• Molecular Weight: 114.15
• Beilstein: 108808
• Reaxy-Rn: 108808
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108808&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azolidines
      • Subclass Imidazolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazolidinones
• Alternative Parents: Ureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Imidazolidinone - Urea - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazolidinones. These are organic compounds containing an imidazolidinone moiety, which is an imidazolidine ring bearing a ketone.
• 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

• Refractive Index: 1.472
• Flash Point(°C): 120 °C
• Boil Point(°C): 224-226°C
• Melt Point(°C): 8.2°C
• Molecular Weight: 114.150 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 114.079 Da
• Monoisotopic Mass: 114.079 Da
• Topological Polar Surface Area: 23.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 101.000
• 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

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