3-Hydroxyazetidine Hydrochloride - ≥97% , CAS No.18621-18-6

CAS: 18621-18-6 Cat. No.: H102085 Molecular Weight: 109.55 EC Number: 628-004-3

GRADE & PURITY ≥97%

Synonyms

3-hydroxy azetidine hydrochloride | AC-868 | azetidin-3-ol, hydrochloride | MFCD02683887 | azetidin-3-ol monohydrochloride | FT-0600972 | Z1012638850 | 3-hydroxyazetidinium chloride | 3-hydroxy-azetidinium chloride | Azetidin-3-ol (hydrochloride) | 3-(hyd

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Application

Building block used in a recent synthesis of a fluoroquinolone antibiotic.

3-Hydroxyazetidine hydrochloride is an building block used in a recent synthesis of a fluoroquinolone antibiotic and a useful intermediate in the synthesis of polypeptides.

Specifications

Synonyms

3-hydroxy azetidine hydrochloride | AC-868 | azetidin-3-ol, hydrochloride | MFCD02683887 | azetidin-3-ol monohydrochloride | FT-0600972 | Z1012638850 | 3-hydroxyazetidinium chloride | 3-hydroxy-azetidinium chloride | Azetidin-3-ol (hydrochloride) | 3-(hyd

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488193128
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193128
• Canonical Smiles: C1C(CN1)O.Cl
• IUPAC Name: azetidin-3-ol;hydrochloride
• InChIKey: UQUPQEUNHVVNKW-UHFFFAOYSA-N
• INCHI: 1S/C3H7NO.ClH/c5-3-1-4-2-3;/h3-5H,1-2H2;1H
• Isomeric SMILES: C1C(CN1)O.Cl
• WGK Germany: 3
• Molecular Weight: 109.55
• Reaxy-Rn: 3549016
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3549016&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azetidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azetidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azetidines
• Alternative Parents: Secondary alcohols 1,2-aminoalcohols Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,2-aminoalcohol - Azetidine - Secondary alcohol - Azacycle - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Alcohol - Amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as azetidines. These are organic compounds containing a saturated four-member heterocycle where one nitrogen atom replaces a carbon atom.
• 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, DMSO, methanol.
• Sensitivity: Hygroscopic
• Melt Point(°C): 85-90°C
• Molecular Weight: 109.550 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 109.029 Da
• Monoisotopic Mass: 109.029 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 33.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

XLogP3