Dodemorph - analytical standard, mixture of isomers , CAS No.1593-77-7

CAS: 1593-77-7 Cat. No.: D114715 Summenformel: C₁₈H₃₅NO Molekulargewicht: 281.48 Beilstein Registry Number: 511312 EG-Nummer: 216-474-9

GRADE & PURITY Analytical standard, mixture of isomers

Synonyms

CHEBI:81960 | 4-Cyclododecyl-2,6-dimethylmorpholine # | SCHEMBL29393 | C18786 | dodemorph;4-cyclododecyl-2,6-dimethylmorpholine | Meltatox | Dodemorphe | 22O8GR86F0 | Dodemorphe [ISO-French] | UNII-22O8GR86F0 | Cyclododecane, morpholine deriv. | Dodemorph

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

CHEBI:81960 | 4-Cyclododecyl-2,6-dimethylmorpholine # | SCHEMBL29393 | C18786 | dodemorph;4-cyclododecyl-2,6-dimethylmorpholine | Meltatox | Dodemorphe | 22O8GR86F0 | Dodemorphe [ISO-French] | UNII-22O8GR86F0 | Cyclododecane, morpholine deriv. | Dodemorph

Spezifikationen & Reinheit

analytical standard, mixture of isomers

Storage

Room temperature

Verschickt in

Normal

Note

Analytischer Standard

Namen und Kennungen

Pubchem Sid

528770727

Kanonisches Lächeln

CC1CN(CC(O1)C)C2CCCCCCCCCCC2

IUPAC Name

4-cyclododecyl-2,6-dimethylmorpholine

InChIKey

JMXKCYUTURMERF-UHFFFAOYSA-N

INCHI

1S/C18H35NO/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18/h16-18H,3-15H2,1-2H3

Isomere SMILES

CC1CN(CC(O1)C)C2CCCCCCCCCCC2

WGK Deutschland

2

RTECS

QE0550000

UN-Nummer

3077

Molekulargewicht

281.48

Beilstein

511312

Reaxy-Rn

511312

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=511312&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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: Morpholine fungicides

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

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): >100 °C
• Flammpunkt (°C): >100°C
• Molekulargewicht: 281.500 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 281.272 Da
• Monoisotopic Mass: 281.272 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 234.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1