4-(3-chloropropyl)morpholine hydrochloride - ≥97% , CAS No.57616-74-7

CAS: 57616-74-7 Cat. No.: C176842 Molecular Weight: 200.1 EC Number: 260-851-0 PubChem CID: 12296283

GRADE & PURITY ≥97%

Synonyms

EINECS 252-761-5 | SCHEMBL10978 | 3-chloropropylmorpholine hydrochloride | 3-morpholino-1-chloropropane hydrochloride | 3-Hexen-1-yl 3-methylbutanoate | AMY33765 | FT-0615297 | DTXSID40206281 | EINECS 260-851-0 | EN300-62064 | 4-(3-chloropropyl) morpholin

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

EINECS 252-761-5 | SCHEMBL10978 | 3-chloropropylmorpholine hydrochloride | 3-morpholino-1-chloropropane hydrochloride | 3-Hexen-1-yl 3-methylbutanoate | AMY33765 | FT-0615297 | DTXSID40206281 | EINECS 260-851-0 | EN300-62064 | 4-(3-chloropropyl) morpholin

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504767042
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767042
• Canonical Smiles: C1COCCN1CCCCl.Cl
• IUPAC Name: 4-(3-chloropropyl)morpholine;hydrochloride
• InChIKey: PQECODMSWJOUAT-UHFFFAOYSA-N
• INCHI: 1S/C7H14ClNO.ClH/c8-2-1-3-9-4-6-10-7-5-9;/h1-7H2;1H
• Isomeric SMILES: C1COCCN1CCCCl.Cl
• WGK Germany: 3
• PubChem CID: 12296283
• UN Number: 2923
• Packing Group: III
• Molecular Weight: 200.1

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: Quaternary ammonium salts Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organochlorides Organic chloride salts Hydrocarbon derivatives Alkyl chlorides Organic cations
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - Quaternary ammonium salt - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Alkyl halide - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Alkyl chloride - Organic salt - Organic chloride salt - Amine - Organic cation - 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

• Molecular Weight: 200.100 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 199.053 Da
• Monoisotopic Mass: 199.053 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 83.700
• 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

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