2-Chloro-1,3-dimethylimidazolidinium chloride - ≥90% , CAS No.37091-73-9

CAS: 37091-73-9 Cat. No.: C110330 Molecular Weight: 169.05 EC Number: 629-540-0

GRADE & PURITY ≥90%

Synonyms

Q27261414 | UNII-56KA2A1U1D | 2-chloro-1,3-dimethyl-4,5-dihydro-3H-imidazolium chloride | AKOS015898276 | EN300-310979 | FT-0611682 | MFCD09039290 | J-508595 | 56KA2A1U1D | AEBBXVHGVADBHA-UHFFFAOYSA-M | SY017259 | C1639 | SCHEMBL265339 | 2-chloro-1,3-dime

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

Q27261414 | UNII-56KA2A1U1D | 2-chloro-1, 3-dimethyl-4, 5-dihydro-3H-imidazolium chloride | AKOS015898276 | EN300-310979 | FT-0611682 | MFCD09039290 | J-508595 | 56KA2A1U1D | AEBBXVHGVADBHA-UHFFFAOYSA-M | SY017259 | C1639 | SCHEMBL265339 | 2-chloro-1, 3-dime

Specifications & Purity

≥90%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥90%

Names and Identifiers

• Pubchem Sid: 504765301
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765301
• Canonical Smiles: CN1CC[N+](=C1Cl)C.[Cl-]
• IUPAC Name: 2-chloro-1,3-dimethyl-4,5-dihydroimidazol-1-ium;chloride
• InChIKey: AEBBXVHGVADBHA-UHFFFAOYSA-M
• INCHI: 1S/C5H10ClN2.ClH/c1-7-3-4-8(2)5(7)6;/h3-4H2,1-2H3;1H/q+1;/p-1
• Isomeric SMILES: CN1CC[N+](=C1Cl)C.[Cl-]
• WGK Germany: 3
• Molecular Weight: 169.05
• Reaxy-Rn: 4014485
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4014485&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azolines
      • Subclass Imidazolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azolines
• Subclass: Imidazolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazolines
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organochlorides Organic chloride salts Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-imidazoline - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic cation - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazolines. These are organic compounds containing an imidazoline ring, which is an unsaturated ring (derived from imidazole) with two nitrogen atoms at positions 1 and 3 respectively, and containing only one CN double bond.
• 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: Hygroscopic
• Melt Point(°C): 133 - 140 °C - lit
• Molecular Weight: 169.050 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 168.022 Da
• Monoisotopic Mass: 168.022 Da
• Topological Polar Surface Area: 6.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 115.000
• 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: 2

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