2-(1-methylpyrrolidin-3-yl)acetic acid - ≥97% , CAS No.102014-77-7

CAS: 102014-77-7 Cat. No.: A626552 Peso molecular: 143.19 PubChem CID: 19362950

GRADE & PURITY ≥97%

Synonyms

2-(1-Methylpyrrolidin-3-yl)aceticacid | E80014 | CEA01477 | (1-methylpyrrolidin-3-yl)acetic acid | 2-(1-Methylpyrrolidin-3-yl)acetic acid | SY322818 | AKOS012274600 | (1-Methyl-3-pyrrolidinyl)acetic acid, AldrichCPR | PS-18112 | BB 0260643 | SCHEMBL255899

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-(1-Methylpyrrolidin-3-yl)aceticacid | E80014 | CEA01477 | (1-methylpyrrolidin-3-yl)acetic acid | 2-(1-Methylpyrrolidin-3-yl)acetic acid | SY322818 | AKOS012274600 | (1-Methyl-3-pyrrolidinyl)acetic acid, AldrichCPR | PS-18112 | BB 0260643 | SCHEMBL255899

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CN1CCC(C1)CC(=O)O
• IUPAC Name: 2-(1-methylpyrrolidin-3-yl)acetic acid
• InChIKey: GXZULSXLGWEQFS-UHFFFAOYSA-N
• INCHI: 1S/C7H13NO2/c1-8-3-2-6(5-8)4-7(9)10/h6H,2-5H2,1H3,(H,9,10)
• Isómeros SMILES: CN1CCC(C1)CC(=O)O
• CAS alternativo: 102014-77-7
• PubChem CID: 19362950
• Peso molecular: 143.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines
      • Subclass N-alkylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: N-alkylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylpyrrolidines
• Alternative Parents: Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-alkylpyrrolidine - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-alkylpyrrolidines. These are compounds containing a pyrrolidine moiety that is substituted at the N1-position with an alkyl group. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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

Propiedades químicas y físicas

• Peso molecular: 143.180 g/mol
• XLogP3: -2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 143.095 Da
• Monoisotopic Mass: 143.095 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 136.000
• 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