Morpholine - Distillation grade, ≥99.5% , CAS No.110-91-8

CAS: 110-91-8 Cat. No.: M109058 Formule: C₄H₉NO Poids moléculaire: 87.12 Beilstein Registry Number: 102549 Numéro CE: 203-815-1

GRADE & PURITY Distillation grade, ≥99.5%

Synonyms

C4H9NO | Drewamine | NCGC00256942-01 | J-522715 | 4-27-00-00015 (Beilstein Handbook Reference) | Diethyleneimide oxide | Tetrahydro-1,4-isoxazine | UNII-8B2ZCK305O | Tetrahydro-1, 4-isoxazine | TETRAHYDRO-2H-1, 4-OXAZINE | Tetrahydro-4H-1-4-oxazine | AI3-

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonymes

C4H9NO | Drewamine | NCGC00256942-01 | J-522715 | 4-27-00-00015 (Beilstein Handbook Reference) | Diethyleneimide oxide | Tetrahydro-1,4-isoxazine | UNII-8B2ZCK305O | Tetrahydro-1, 4-isoxazine | TETRAHYDRO-2H-1, 4-OXAZINE | Tetrahydro-4H-1-4-oxazine | AI3-

Spécifications et pureté

Distillation grade, ≥99.5%

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Grade

Distillation grade

Pureté

≥99.5%

Noms et identifiants

Pubchem Sid

508812893

Sourires canoniques

C1COCCN1

IUPAC Name

morpholine

InChIKey

YNAVUWVOSKDBBP-UHFFFAOYSA-N

INCHI

1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2

Isomères SMILES

C1COCCN1

WGK Allemagne

1

RTECS

QD6475000

Numéro ONU

2054

Groupe d'emballage

I

Poids moléculaire

87.12

Beilstein

102549

Reaxy-Rn

102549

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102549&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: Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - Oxacycle - Azacycle - Secondary amine - Ether - Secondary aliphatic amine - 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: morpholines - saturated organic heteromonocyclic parent

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

Cibles associées (humaines)

CYP1B1 Tchem Cytochrome P450 1B1 (1148 Activities)

Discover Target: CYP1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A1 Tchem Cytochrome P450 1A1 (1169 Activities)

Discover Target: CYP1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: It is miscible with water and can be miscible with most organic solvents.
• Sensibilité: Hygroscopic
• Indice de réfraction: 1.4548
• Point d'éclair (°F): 87.8 °F
• Point d'éclair (°C): 35℃
• Point d'ébullition (°C): 128.3°C
• Point de fusion (°C): -4.76°C
• Poids moléculaire: 87.120 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 87.0684 Da
• Monoisotopic Mass: 87.0684 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 34.500
• 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