1,2,3-Propanetricarboxamide - ≥98% , CAS No.1205674-38-9

CAS: 1205674-38-9 Cat. No.: P160458 Summenformel: C₆H₁₁N₃O₃ Molekulargewicht: 173.17 PubChem CID: 23316763

GRADE & PURITY ≥98%

Synonyms

DTXSID50632810 | 1205674-38-9 | 3-Carbamoylpentanediamide | P1732 | T71634 | 1,2,3-Propanetricarboxamide | MFCD09038546 | SCHEMBL293079 | propane-1,2,3-tricarboxamide

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

DTXSID50632810 | 1205674-38-9 | 3-Carbamoylpentanediamide | P1732 | T71634 | 1,2,3-Propanetricarboxamide | MFCD09038546 | SCHEMBL293079 | propane-1,2,3-tricarboxamide

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: C(C(CC(=O)N)C(=O)N)C(=O)N
• IUPAC Name: propane-1,2,3-tricarboxamide
• InChIKey: APCDASFMETWCPU-UHFFFAOYSA-N
• INCHI: 1S/C6H11N3O3/c7-4(10)1-3(6(9)12)2-5(8)11/h3H,1-2H2,(H2,7,10)(H2,8,11)(H2,9,12)
• Isomere SMILES: C(C(CC(=O)N)C(=O)N)C(=O)N
• PubChem CID: 23316763
• Molekulargewicht: 173.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Fatty amides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty amides
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty amides
• Alternative Parents: Primary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty amide - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as fatty amides. These are carboxylic acid amide derivatives of fatty acids, that are formed from a fatty acid and an amine.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Schmelzpunkt (°C): 218°C(lit.)
• Molekulargewicht: 173.170 g/mol
• XLogP3: -3.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 173.08 Da
• Monoisotopic Mass: 173.08 Da
• Topological Polar Surface Area: 129.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 198.000
• 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