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

CAS: 18621-18-6 Cat. No.: H102085 Summenformel: C₃H₇NO·HCl Molekulargewicht: 109.55 EG-Nummer: 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

Room temperature,Argon charged

Shipped In

Normal

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488193128

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488193128

Kanonisches Lächeln

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

Isomere SMILES

C1C(CN1)O.Cl

WGK Deutschland

3

Molekulargewicht

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
    • Klasse Azetidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water, DMSO, methanol.
• Empfindlichkeit: Hygroscopic
• Schmelzpunkt (°C): 85-90°C
• Molekulargewicht: 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