2-Morpholinoethyl isocyanide - ≥96% , CAS No.78375-48-1

CAS: 78375-48-1 Cat. No.: M113341 Molecular Weight: 140.18 Beilstein Registry Number: 4666990 EC Number: 684-902-5

GRADE & PURITY ≥96%

Synonyms

2-(morpholin-4-yl)ethylisocyanide | FT-0616545 | Morpholine, 4-(2-isocyanoethyl)- | EN300-1853864 | F87379 | 2-Morpholinoethylisocyanide | 2-Morpholino-ethyl-isocyanide | 4-(2-isocyanoethyl)morpholine | DTXSID50374788 | AM83846 | morpholinoethylisocyanide

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

2-(morpholin-4-yl)ethylisocyanide | FT-0616545 | Morpholine, 4-(2-isocyanoethyl)- | EN300-1853864 | F87379 | 2-Morpholinoethylisocyanide | 2-Morpholino-ethyl-isocyanide | 4-(2-isocyanoethyl)morpholine | DTXSID50374788 | AM83846 | morpholinoethylisocyanide

Specifications & Purity

≥96%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥96%

Names and Identifiers

• Canonical Smiles: [C-]#[N+]CCN1CCOCC1
• IUPAC Name: 4-(2-isocyanoethyl)morpholine
• InChIKey: MFRZPLYKVDHOSN-UHFFFAOYSA-N
• INCHI: 1S/C7H12N2O/c1-8-2-3-9-4-6-10-7-5-9/h2-7H2
• Isomeric SMILES: [C-]#[N+]CCN1CCOCC1
• WGK Germany: 3
• UN Number: 2810
• Molecular Weight: 140.18
• Beilstein: 4666990
• Reaxy-Rn: 4307819
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4307819&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 Organic isocyanides Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Organic isocyanide - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - 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

• Sensitivity: air and moisture sensitive.
• Refractive Index: 1.469
• Flash Point(°F): 230 °F
• Flash Point(°C): 110 °C
• Boil Point(°C): 72-73°C
• Molecular Weight: 140.180 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 140.095 Da
• Monoisotopic Mass: 140.095 Da
• Topological Polar Surface Area: 16.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 132.000
• 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