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

CAS: 5082-74-6 Cat. No.: P589305 Molecular Weight: 101.15 Beilstein Registry Number: 1420900 EC Number: 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

Overview

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

Specifications

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

Specifications & Purity

≥97%

Storage

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

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1CNCC1CO
• WGK Germany: 3
• Alternate CAS: 5082-74-6
• Molecular Weight: 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
    • Class Pyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Slightly soluble in water
• Sensitivity: Hygroscopic
• Flash Point(°F): 186.8 °F
• Flash Point(°C): 86 °C
• Boil Point(°C): 165-171°C
• Molecular Weight: 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