{[(2R)-1,4-dioxan-2-yl]methyl}(methyl)amine hydrochloride - ≥97% , CAS No.917882-58-7

CAS: 917882-58-7 Cat. No.: A635125 Molecular Weight: 167.63 PubChem CID: 53309828

GRADE & PURITY ≥97%

Synonyms

917882-58-7 | {[(2R)-1,4-dioxan-2-yl]methyl}(methyl)amine hydrochloride | (R)-1-(1,4-Dioxan-2-yl)-N-methylmethanamine hydrochloride | (R)-1-(1,4-Dioxan-2-yl)-N-methylmethanamine HCl | ([(2R)-1,4-Dioxan-2-yl]methyl)(methyl)amine hydrochloride | 1-[(2R)-1,4

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

917882-58-7 | {[(2R)-1, 4-dioxan-2-yl]methyl}(methyl)amine hydrochloride | (R)-1-(1, 4-Dioxan-2-yl)-N-methylmethanamine hydrochloride | (R)-1-(1, 4-Dioxan-2-yl)-N-methylmethanamine HCl | ([(2R)-1, 4-Dioxan-2-yl]methyl)(methyl)amine hydrochloride | 1-[(2R)-1, 4

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CNCC1COCCO1.Cl
• IUPAC Name: 1-[(2R)-1,4-dioxan-2-yl]-N-methylmethanamine;hydrochloride
• InChIKey: MUZNZRLDNIWRKI-FYZOBXCZSA-N
• INCHI: 1S/C6H13NO2.ClH/c1-7-4-6-5-8-2-3-9-6;/h6-7H,2-5H2,1H3;1H/t6-;/m1./s1
• Isomeric SMILES: CNC[C@@H]1COCCO1.Cl
• PubChem CID: 53309828
• Molecular Weight: 167.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Dioxanes
      • Subclass 1,4-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Dioxanes
• Subclass: 1,4-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-dioxanes
• Alternative Parents: Oxacyclic compounds Dialkylamines Dialkyl ethers Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Para-dioxane - Oxacycle - Secondary amine - Ether - Secondary aliphatic amine - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,4-dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4.
• 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: 167.630 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 167.071 Da
• Monoisotopic Mass: 167.071 Da
• Topological Polar Surface Area: 30.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 77.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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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