N-(2-Cyanoethyl)morpholine - ≥99% , CAS No.4542-47-6

CAS: 4542-47-6 Cat. No.: N159783 Formula: C₇H₁₂N₂O Peso molecolare: 140.19 Beilstein Registry Number: 27(5)2,625 Numero EC: 224-894-9

GRADE & PURITY ≥99%

Synonyms

NSC-51108 | 3-(4-Morpholino)propanitrile | 3-(morpholin-4-yl)propanenitrile | 3-morpholinopropanenitrile | 3-Morpholinopropiononitrile | EINECS 224-894-9 | Propionitrile, 3-morpholino- | .beta.-Morpholinopropionitrile | Cyanoethylmorpholine | FT-0679031 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

NSC-51108 | 3-(4-Morpholino)propanitrile | 3-(morpholin-4-yl)propanenitrile | 3-morpholinopropanenitrile | 3-Morpholinopropiononitrile | EINECS 224-894-9 | Propionitrile, 3-morpholino- | .beta.-Morpholinopropionitrile | Cyanoethylmorpholine | FT-0679031 |

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 488185556
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185556
• Sorrisi canonici: C1COCCN1CCC#N
• IUPAC Name: 3-morpholin-4-ylpropanenitrile
• InChIKey: WXVKGHVDWWXBJX-UHFFFAOYSA-N
• INCHI: 1S/C7H12N2O/c8-2-1-3-9-4-6-10-7-5-9/h1,3-7H2
• Isomeri SMILES: C1COCCN1CCC#N
• Peso molecolare: 140.19
• Beilstein: 27(5)2,625
• Reaxy-Rn: 110425
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=110425&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Morpholines
• Alternative Parents: Trialkylamines Oxacyclic compounds Nitriles Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Carbonitrile - Nitrile - Azacycle - Oxacycle - Organonitrogen compound - Amine - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive,Heat Sensitive
• Indice di rifrazione: 1.47
• Punto di infiammabilità (°F): 62°C(lit.)
• Punto di infiammabilità (°C): 62°C(lit.)
• Punto di ebollizione (°C): 246°C(lit.)
• Peso molecolare: 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: 36.300 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