Spirobishexahydropyrimidine , CAS No.4115-66-6

CAS: 4115-66-6 Cat. No.: S1361141 Formula: C₁₁H₂₀N₄O₂ Peso molecolare: 240.3 Numero EC: 666-814-9

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Nomi e identificatori

• Sorrisi canonici: CC1(CC2(CC(NC(=O)N2)(C)C)NC(=O)N1)C
• IUPAC Name: 4,4,10,10-tetramethyl-1,3,7,9-tetrazaspiro[5.5]undecane-2,8-dione
• InChIKey: VQACAWOJMMCZHK-UHFFFAOYSA-N
• INCHI: 1S/C11H20N4O2/c1-9(2)5-11(14-7(16)12-9)6-10(3,4)13-8(17)15-11/h5-6H2,1-4H3,(H2,12,14,16)(H2,13,15,17)
• Peso molecolare: 240.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidones
• Alternative Parents: Diazinanes Ureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Pyrimidone - 1,3-diazinane - Urea - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 240.300 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 240.159 Da
• Monoisotopic Mass: 240.159 Da
• Topological Polar Surface Area: 82.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 340.000
• 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

Domande frequenti

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This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4115-66-6, the molecular formula is C11H20N4O2, and the molecular weight is 240.3 g/mol. InChIKey VQACAWOJMMCZHK-UHFFFAOYSA-N.

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