1,1-Dimethyl-2,3-dihydrobenzo[d][1,3]azasilin-4(1H)-one - ≥98% , CAS No.146617-38-1

CAS: 146617-38-1 Cat. No.: D962613 PubChem CID: 19418935

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C[Si]1(CNC(=O)C2=CC=CC=C21)C
• IUPAC Name: 1,1-dimethyl-2,3-dihydro-3,1-benzazasilin-4-one
• InChIKey: VCEKLOSJVFDIGK-UHFFFAOYSA-N
• INCHI: 1S/C10H13NOSi/c1-13(2)7-11-10(12)8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3,(H,11,12)
• Isomeric SMILES: C[Si]1(CNC(=O)C2=CC=CC=C21)C
• PubChem CID: 19418935

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkylarylsilanes
• Alternative Parents: Benzenoids Secondary carboxylic acid amides Lactams Organic metalloid salts Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Alkylsilanes
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkylarylsilane - Benzenoid - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic metalloid salt - Alkylsilane - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alkylarylsilanes. These are organosilicon compounds with the general formula R[Si]R' (R = alkyl, R' = aryl).
• 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: 191.300 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 191.077 Da
• Monoisotopic Mass: 191.077 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 227.000
• 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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