4-Methylmorpholine - BioReagent, for protein sequencing, ≥99.5%(GC) , CAS No.109-02-4

CAS: 109-02-4 Cat. No.: M755579 Formula: C₅H₁₁NO Molecular Weight: 101.15 Beilstein Registry Number: 102719 EC Number: 203-640-0

GRADE & PURITY BioReagent, for Protein sequencing, ≥99.5%(GC)

Storage

Room temperature

Shipped In

FedEx DG Service

Overview

• Effect of morpholine, and 4-methylmorpholine on urethane formation: a computational study: This paper explores the role of 4-methylmorpholine in urethane synthesis, highlighting its utility in enhancing reaction efficiencies within computational models (Waleed et al., 2023).


• Design, Synthesis, Characterization, and In Vitro Evaluation of a New Cross-Linked Hyaluronic Acid for Pharmaceutical and Cosmetic Applications: Incorporates 4-methylmorpholine in the design and synthesis of new hyaluronic acid formulations, underscoring its role in developing innovative pharmaceutical and cosmetic products (Sciabica et al., 2021).

Specifications

Specifications & Purity

BioReagent, for protein sequencing, ≥99.5%(GC)

Storage

Room temperature

Shipped In

FedEx DG Service

Grade

BioReagent, for Protein sequencing

Purity

≥99.5%(GC)

Names and Identifiers

PH

10.6 (20 °C, 50 g/L)

Canonical Smiles

CN1CCOCC1

IUPAC Name

4-methylmorpholine

InChIKey

SJRJJKPEHAURKC-UHFFFAOYSA-N

INCHI

1S/C5H11NO/c1-6-2-4-7-5-3-6/h2-5H2,1H3

Isomeric SMILES

CN1CCOCC1

WGK Germany

1

RTECS

QE5775000

UN Number

2535

Packing Group

II

Molecular Weight

101.15

Beilstein

102719

Reaxy-Rn

102719

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102719&ln=

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 Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - 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

• x_refractive_index: 1.4332
• x_flash_point_drop_centigrade: 12℃
• x_boil_point_char: 111-114°C
• x_melt_point_char: -65°C
• Molecular Weight: 101.150 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 101.084 Da
• Monoisotopic Mass: 101.084 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 50.000
• 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: 1