ALPHA-METHYL-ALPHA-PROPYLSUCCINIMIDE - ≥95% , CAS No.1497-19-4

CAS: 1497-19-4 Cat. No.: B299930 Formula: C₈H₁₃NO₂ Peso molecolare: 155.19

GRADE & PURITY ≥95%

Synonyms

3-Methyl-3-propylpyrrolidine-2,5-dione|1497-19-4|alpha-Methyl-alpha-propylsuccinimide|2,5-Pyrrolidinedione, 3-methyl-3-propyl-|Methylpropylsuccinimide|Methylpropylsuximide|EINECS 216-092-2|Propyl-methyl-Succinimid|SCHEMBL1566072|VXXGMHKGORIRTK-UHFFFAOYSA-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

3-Methyl-3-propylpyrrolidine-2,5-dione | 1497-19-4 | alpha-Methyl-alpha-propylsuccinimide | 2,5-Pyrrolidinedione, 3-methyl-3-propyl- | Methylpropylsuccinimide | Methylpropylsuximide | EINECS 216-092-2 | Propyl-methyl-Succinimid | SCHEMBL1566072 | VXXGMHKGORIRTK-UHFFFAOYSA-

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: CCCC1(CC(=O)NC1=O)C
• IUPAC Name: 3-methyl-3-propylpyrrolidine-2,5-dione
• InChIKey: VXXGMHKGORIRTK-UHFFFAOYSA-N
• INCHI: 1S/C8H13NO2/c1-3-4-8(2)5-6(10)9-7(8)11/h3-5H2,1-2H3,(H,9,10,11)
• Isomeri SMILES: CCCC1(CC(=O)NC1=O)C
• Peso molecolare: 155.19
• Reaxy-Rn: 1526409
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1526409&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine-2-ones
• Alternative Parents: N-unsubstituted carboxylic acid imides Dicarboximides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-pyrrolidone - Carboxylic acid imide - Dicarboximide - Carboxylic acid imide, n-unsubstituted - Lactam - Carboxylic acid derivative - Azacycle - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring.
• 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: 155.190 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 155.095 Da
• Monoisotopic Mass: 155.095 Da
• Topological Polar Surface Area: 46.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 200.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1