(R)-3-Hydroxypyrrolidine hydrochloride - ≥98% , CAS No.104706-47-0

CAS: 104706-47-0 Cat. No.: H115463 Molecular Weight: 123.58 Beilstein Registry Number: 4450078 EC Number: 600-598-9

GRADE & PURITY ≥98%

Synonyms

(R)-3-Pyrrolidinol hydrochloride | 3r-hydroxypyrrolidine monohydrochloride | 3r-pyrrolidinol hydrochloride | (S)-3-Hydroxypyrrolidine HCl | EN300-69313 | r-3-hydroxypyrrolidine-hcl | r-(-)-3-pyrrolidinol hydrochloride | (3R)-pyrrolidin-3-ol;hydrochloride

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

(R)-3-Pyrrolidinol hydrochloride | 3r-hydroxypyrrolidine monohydrochloride | 3r-pyrrolidinol hydrochloride | (S)-3-Hydroxypyrrolidine HCl | EN300-69313 | r-3-hydroxypyrrolidine-hcl | r-(-)-3-pyrrolidinol hydrochloride | (3R)-pyrrolidin-3-ol;hydrochloride

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488193133
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193133
• Canonical Smiles: C1CNCC1O.Cl
• IUPAC Name: (3R)-pyrrolidin-3-ol;hydrochloride
• InChIKey: QPMSJEFZULFYTB-PGMHMLKASA-N
• INCHI: 1S/C4H9NO.ClH/c6-4-1-2-5-3-4;/h4-6H,1-3H2;1H/t4-;/m1./s1
• Isomeric SMILES: C1CNC[C@@H]1O.Cl
• WGK Germany: 3
• Molecular Weight: 123.58
• Beilstein: 4450078
• Reaxy-Rn: 7029051
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7029051&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: Secondary alcohols 1,2-aminoalcohols Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Azacycle - Alcohol - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrochloride - Hydrocarbon derivative - 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: Soluble in water
• Sensitivity: light & Moisture sensitive
• Specific Rotation[α]: -7.8 ° (C=3.5, MeOH)
• Melt Point(°C): 106-109°C
• Molecular Weight: 123.580 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 123.045 Da
• Monoisotopic Mass: 123.045 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 46.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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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