[(2S,4R)-4-fluoropyrrolidin-2-yl]methanol hydrochloride - ≥97% , CAS No.623583-09-5

CAS: 623583-09-5 Cat. No.: M638321 Número EC: 985-178-6 PubChem CID: 67293842

GRADE & PURITY ≥97%

Synonyms

SCHEMBL2146004 | AS-70443 | [(2S,4R)-4-fluoropyrrolidin-2-yl] methanol hydrochloride | [(2S,4R)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride | ((2S,4R)-4-Fluoropyrrolidin-2-yl)methanol HCl | [(2S,4R)-4-FLUOROPYRROLIDIN-2-YL]METHANOL HYDROCHLORIDE | ((2s

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SCHEMBL2146004 | AS-70443 | [(2S, 4R)-4-fluoropyrrolidin-2-yl] methanol hydrochloride | [(2S, 4R)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride | ((2S, 4R)-4-Fluoropyrrolidin-2-yl)methanol HCl | [(2S, 4R)-4-FLUOROPYRROLIDIN-2-YL]METHANOL HYDROCHLORIDE | ((2s

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1C(CNC1CO)F.Cl
• IUPAC Name: [(2S,4R)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride
• InChIKey: MCSMAEKVMQAPIQ-JBUOLDKXSA-N
• INCHI: 1S/C5H10FNO.ClH/c6-4-1-5(3-8)7-2-4;/h4-5,7-8H,1-3H2;1H/t4-,5+;/m1./s1
• Isómeros SMILES: C1[C@H](CN[C@@H]1CO)F.Cl
• CAS alternativo: 623583-09-5
• PubChem CID: 67293842

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidines
• Alternative Parents: 1,2-aminoalcohols Dialkylamines Azacyclic compounds Primary alcohols Organofluorides Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine - 1,2-aminoalcohol - Secondary aliphatic amine - Azacycle - Secondary amine - Organic nitrogen compound - Hydrochloride - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrolidines. These are compounds containing a pyrrolidine ring, which 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: 155.600 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 155.051 Da
• Monoisotopic Mass: 155.051 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 78.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

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