5-Chloro-1-aza-5-stannabicyclo(3.3.3)undecane , CAS No.93253-73-7

CAS: 93253-73-7 Cat. No.: C1237241 Molecular Weight: 294.41 EC Number: 632-985-3 PubChem CID: 11077258

Storage

Room temperature

Shipped In

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Specifications

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: C1CN2CCC[Sn](C1)(CCC2)Cl
• IUPAC Name: 5-chloro-1-aza-5-stannabicyclo[3.3.3]undecane
• InChIKey: BRPCJQRIZVVNKX-UHFFFAOYSA-M
• INCHI: 1S/C9H18N.ClH.Sn/c1-4-7-10(8-5-2)9-6-3;;/h1-9H2;1H;/q;;+1/p-1
• Isomeric SMILES: C1CN2CCC[Sn](C1)(CCC2)Cl
• WGK Germany: 3
• PubChem CID: 11077258
• Molecular Weight: 294.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Class Organic metal salts
      • Subclass Organic post-transition metal salts
        • Level5 Organic tin salts
          • Level6 Triorganotin halide salts

• Kingdom: Organic compounds
• Superclass: Organic salts
• Class: Organic metal salts
• Subclass: Organic post-transition metal salts
• Intermediate Tree Nodes: Organic tin salts
• Direct Parent: Triorganotin halide salts
• Alternative Parents: Trialkyltins Trialkylamines Metalloheterocyclic compounds Metal alkyl halides Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Triorganotin halide salt - Tertiary amine - Trialkyltin - Tertiary aliphatic amine - Metalloheterocycle - Metal alkyl halide - Azacycle - Organoheterocyclic compound - Amine - Organotin compound - Hydrocarbon derivative - Organonitrogen compound - Organometallic compound - Organic post-transition metal moeity - Organic nitrogen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as triorganotin halide salts. These are organic compounds containing a tin atom bonded to three carbon atoms and a halogen atom.
• 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

• Molecular Weight: 294.410 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 295.015 Da
• Monoisotopic Mass: 295.015 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 136.000
• 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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