2-(4-Morpholinyl)ethyl isothiocyanate - ≥95% , CAS No.63224-35-1

CAS: 63224-35-1 Cat. No.: B301346 Formule: C₇H₁₂N₂OS Poids moléculaire: 172.25 Numéro CE: 627-557-8

GRADE & PURITY ≥95%

Synonyms

2-(4-Morpholino)ethyl isothiocyanate, 96% | STK801421 | 2-Morpholinoethyl isothiocyanate | SCHEMBL838431 | 4-(2-Isothiocyanatoethyl)morpholine # | A834284 | 4-(2-Isothiocyanatoethyl)morpholine | 4-(2-isothiocyanato-ethyl)-morpholine | 2-(4-morpholinyl)eth

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

2-(4-Morpholino)ethyl isothiocyanate, 96% | STK801421 | 2-Morpholinoethyl isothiocyanate | SCHEMBL838431 | 4-(2-Isothiocyanatoethyl)morpholine # | A834284 | 4-(2-Isothiocyanatoethyl)morpholine | 4-(2-isothiocyanato-ethyl)-morpholine | 2-(4-morpholinyl)eth

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

Pubchem Sid

508807886

Sourires canoniques

C1COCCN1CCN=C=S

IUPAC Name

4-(2-isothiocyanatoethyl)morpholine

InChIKey

SDNSCXCXVQHBGH-UHFFFAOYSA-N

INCHI

1S/C7H12N2OS/c11-7-8-1-2-9-3-5-10-6-4-9/h1-6H2

Isomères SMILES

C1COCCN1CCN=C=S

Poids moléculaire

172.25

Reaxy-Rn

1210530

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1210530&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 Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - Isothiocyanate - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Dialkyl ether - Ether - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - 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

Propriétés chimiques et physiques

• Solubilité: Hydrolyzes in water.
• Sensibilité: Moisture sensitive
• Indice de réfraction: 1.5380
• Point d'éclair (°C): >110°C
• Point d'ébullition (°C): 163°/10mm
• Poids moléculaire: 172.250 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 172.067 Da
• Monoisotopic Mass: 172.067 Da
• Topological Polar Surface Area: 56.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 151.000
• 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