4-(2-Chloroethyl)morpholine hydrochloride - purum, ≥97%(AT) , CAS No.3647-69-6

CAS: 3647-69-6 Cat. No.: C475733 Molecular Weight: 186.08 EC Number: 222-881-2 PubChem CID: 77210

GRADE & PURITY purum, ≥97%(AT)

Synonyms

chloroethylmorpholine hydrochloride | 2-chloroethyl morpholine hydrochloride | 2-Morpholinoethyl chloride hydrochloride | 2-morpholino-ethyl chloride hydrochloride | 4-(2-Chloroethyl)morpholine hydrochloride (1:1) | morpholinoethyl chloride hydrochloride

Storage

Room temperature

Specifications

Synonyms

chloroethylmorpholine hydrochloride | 2-chloroethyl morpholine hydrochloride | 2-Morpholinoethyl chloride hydrochloride | 2-morpholino-ethyl chloride hydrochloride | 4-(2-Chloroethyl)morpholine hydrochloride (1:1) | morpholinoethyl chloride hydrochloride

Specifications & Purity

purum, ≥97%(AT)

Storage

Room temperature

Grade

purum

Purity

≥97%(AT)

Names and Identifiers

• Canonical Smiles: C1COCCN1CCCl.Cl
• IUPAC Name: 4-(2-chloroethyl)morpholine;hydrochloride
• InChIKey: NBJHDLKSWUDGJG-UHFFFAOYSA-N
• INCHI: 1S/C6H12ClNO.ClH/c7-1-2-8-3-5-9-6-4-8;/h1-6H2;1H
• Isomeric SMILES: C1COCCN1CCCl.Cl
• WGK Germany: 2
• RTECS: QE0260000
• PubChem CID: 77210
• Molecular Weight: 186.08
• Reaxy-Rn: 3684083

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Morpholines
• Alternative Parents: Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Azacycle - Oxacycle - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Alkyl chloride - Hydrochloride - Alkyl halide - Amine - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.
• 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

• Melt Point(°C): 185 °C
• Molecular Weight: 186.080 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 185.037 Da
• Monoisotopic Mass: 185.037 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 73.500
• 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. Yi-Rou Jin, Yi Liu, Feng-Lei Jiang.  (2021)  Positive Sorption Behaviors in the Ligand Exchanges for Water-Soluble Quantum Dots and a Strategy for Specific Targeting.  ACS Applied Materials & Interfaces,      [PMID:34672524] [10.1021/acsami.1c15022]

2. Zhenyuan Wang, Guangxing Pan, Binshen Wang, Ling Zhang, Weiwei Zhao, Xing Ma, Jichuan Zhang, Jiaheng Zhang.  (2019)  Synthesis and Properties of Azide-Functionalized Ionic Liquids as Attractive Hypergolic Fuels.  Chemistry-An Asian Journal,  14  (12): (2122-2128).  [PMID:30950213] [10.1002/asia.201900364]