Pyrrolidin-3-ylmethanol - ≥97% , CAS No.5082-74-6

CAS: 5082-74-6 Cat. No.: P589305 Peso molecular: 101.15 Beilstein Registry Number: 1420900 Número EC: 687-856-4

GRADE & PURITY ≥97%

Synonyms

(RS)-3-Pyrrolidinemethanol, >=98% (GC) | DTXSID10539553 | FT-0772304 | AKOS004120753 | SCHEMBL102835 | (3rs)-3-hydroxymethyl pyrrolidine | PB12644 | SY008227 | pyrrolidin-3-ylmethanol | Pyrrolidin-3-yl-methanol | SY008238 | (R)-3-PYRROLIDINEMETHANOL | R15

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.

Specifications

Sinónimos

(RS)-3-Pyrrolidinemethanol, >=98% (GC) | DTXSID10539553 | FT-0772304 | AKOS004120753 | SCHEMBL102835 | (3rs)-3-hydroxymethyl pyrrolidine | PB12644 | SY008227 | pyrrolidin-3-ylmethanol | Pyrrolidin-3-yl-methanol | SY008238 | (R)-3-PYRROLIDINEMETHANOL | R15

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1CNCC1CO
• IUPAC Name: pyrrolidin-3-ylmethanol
• InChIKey: QOTUIIJRVXKSJU-UHFFFAOYSA-N
• INCHI: 1S/C5H11NO/c7-4-5-1-2-6-3-5/h5-7H,1-4H2
• Isómeros SMILES: C1CNCC1CO
• WGK Alemania: 3
• CAS alternativo: 5082-74-6
• Peso molecular: 101.15
• Beilstein: 1420900
• Reaxy-Rn: 1420904
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1420904&ln=

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: 1,3-aminoalcohols Dialkylamines Azacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine - 1,3-aminoalcohol - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - 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

• Solubilidad: Slightly soluble in water
• Sensibilidad: Hygroscopic
• Punto de inflamación (°F): 186.8 °F
• Punto de inflamación (°C): 86 °C
• Punto de ebullición (°C): 165-171°C
• Peso molecular: 101.150 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 101.084 Da
• Monoisotopic Mass: 101.084 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 56.000
• 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