Phthalimide DBU Salt - ≥98% , CAS No.119812-51-0

CAS: 119812-51-0 Cat. No.: P160744 Formule: C₁₇H₂₁N₃O₂ Poids moléculaire: 299.37 Numéro CE: 679-680-1 PubChem CID: 14331607

GRADE & PURITY ≥98%

Synonyms

Phthalimide DBU salt | AS-74550 | Isoindoline-1,3-dione 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine salt | phthalimidedbusalt | MFCD00191683 | 2,3,4,6,7,8,9,10-Octahydro-1H-pyrimido[1,2-a]azepin-5-ium;3-oxoisoindol-1-olate | F16664 | 2,3-dihydro-1H-i

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

Phthalimide DBU salt | AS-74550 | Isoindoline-1,3-dione 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine salt | phthalimidedbusalt | MFCD00191683 | 2,3,4,6,7,8,9,10-Octahydro-1H-pyrimido[1,2-a]azepin-5-ium;3-oxoisoindol-1-olate | F16664 | 2,3-dihydro-1H-i

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504767612
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767612
• Sourires canoniques: C1CCC2=NCCCN2CC1.C1=CC=C2C(=C1)C(=O)NC2=O
• IUPAC Name: isoindole-1,3-dione;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
• InChIKey: BLFUSYFCQXDQCF-UHFFFAOYSA-N
• INCHI: 1S/C9H16N2.C8H5NO2/c1-2-5-9-10-6-4-8-11(9)7-3-1;10-7-5-3-1-2-4-6(5)8(11)9-7/h1-8H2;1-4H,(H,9,10,11)
• Isomères SMILES: C1CCC2=NCCCN2CC1.C1=CC=C2C(=C1)C(=O)NC2=O
• PubChem CID: 14331607
• Poids moléculaire: 299.37
• Reaxy-Rn: 4343711

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Isoindoles and derivatives
      • Subclass Isoindolines
        • Level5 Isoindolones
          • Level6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Isoindoles Azepanes Imidolactams Hydropyrimidines Benzenoids N-unsubstituted carboxylic acid imides Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Not available
• Substituents: Phthalimide - Isoindole - Azepane - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Imidolactam - Benzenoid - Carboxylic acid imide - Carboxylic acid imide, n-unsubstituted - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
• 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

Propriétés chimiques et physiques

• Sensibilité: Hygroscopic
• Point de fusion (°C): 142 °C
• Poids moléculaire: 299.370 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 299.163 Da
• Monoisotopic Mass: 299.163 Da
• Topological Polar Surface Area: 61.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 353.000
• 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: 2

XLogP3

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

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 119812-51-0, the molecular formula is C17H21N3O2, and the molecular weight is 299.37 g/mol. InChIKey BLFUSYFCQXDQCF-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.