Cyclobutane-1,1-dicarboxamide , CAS No.33582-68-2

CAS: 33582-68-2 Cat. No.: C487037 Formula: C₄H₆(CONH₂)₂ Peso molecolare: 142.16 Numero EC: 608-895-5

Synonyms

NSC 147623, 1,1-Cyclobutanedicarboxamide

Storage

Room temperature

Specifications

Sinonimi

NSC 147623, 1,1-Cyclobutanedicarboxamide

Condizioni di conservazione di stoccaggio

Room temperature

Nomi e identificatori

Sorrisi canonici

C1CC(C1)(C(=O)N)C(=O)N

IUPAC Name

cyclobutane-1,1-dicarboxamide

InChIKey

VEQSYQFANVTOGA-UHFFFAOYSA-N

INCHI

1S/C6H10N2O2/c7-4(9)6(5(8)10)2-1-3-6/h1-3H2,(H2,7,9)(H2,8,10)

Isomeri SMILES

C1CC(C1)(C(=O)N)C(=O)N

WGK Germania

3

Peso molecolare

142.16

Reaxy-Rn

1866472

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1866472&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Primary carboxylic acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Primary carboxylic acid amides
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Primary carboxylic acid amide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as primary carboxylic acid amides. These are compounds comprising primary carboxylic acid amide functional group, with the general structure RC(=O)NH2.
• 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: 142.160 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 142.074 Da
• Monoisotopic Mass: 142.074 Da
• Topological Polar Surface Area: 86.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 168.000
• 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

How should this product be stored?

Store at room temperature.

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

The CAS Number is 33582-68-2, the molecular formula is C4H6(CONH2)2, and the molecular weight is 142.16 g/mol. InChIKey VEQSYQFANVTOGA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.