Azetidine hydrochloride - ≥97% , CAS No.36520-39-5

CAS: 36520-39-5 Cat. No.: A103569 Molecular Weight: 93.56 EC Number: 627-415-5

GRADE & PURITY ≥97%

Synonyms

Azetidine hydrochloride | A6310 | Azetidinehydrochloride | azetidine-hydrochloride | Z1741968337 | AKOS005259327 | Trimethyleneimine hydrochloride | Azetidine, hydrochloride | MFCD00008680 | C3H8ClN | FT-0650368 | BP-12321 | F0001-1044 | azetidine;hydroch

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Azetidine hydrochloride is a building block for azetidine synthesis and a pharmaceutical intermediate.

Specifications

Synonyms

Azetidine hydrochloride | A6310 | Azetidinehydrochloride | azetidine-hydrochloride | Z1741968337 | AKOS005259327 | Trimethyleneimine hydrochloride | Azetidine, hydrochloride | MFCD00008680 | C3H8ClN | FT-0650368 | BP-12321 | F0001-1044 | azetidine;hydroch

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488198022
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198022
• Canonical Smiles: C1CNC1.Cl
• IUPAC Name: azetidine;hydrochloride
• InChIKey: HGQULGDOROIPJN-UHFFFAOYSA-N
• INCHI: 1S/C3H7N.ClH/c1-2-4-3-1;/h4H,1-3H2;1H
• Isomeric SMILES: C1CNC1.Cl
• WGK Germany: 3
• Molecular Weight: 93.56
• Reaxy-Rn: 5937057
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5937057&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: Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Azetidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - 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 (103.8°C at 760 mmHg).
• Sensitivity: Hygroscopic
• Flash Point(°F): 306°F
• Flash Point(°C): 152 °C
• Melt Point(°C): 295°C
• Molecular Weight: 93.550 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 93.0345 Da
• Monoisotopic Mass: 93.0345 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 17.200
• 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

References

1. Jian Chen, Xiang Zhang, Zhuoer Cai, Yinan Zhang, Qi Song, Xiu-Ni Hua, Baiwang Sun.  (2024)  Intermolecular Forces Regulating the Phase-Transition Temperatures in Organic–Inorganic Hybrid Materials.  INORGANIC CHEMISTRY,      [PMID:38608286] [10.1021/acs.inorgchem.4c00177]