(3S,5S)-3,5-Dimethylmorpholine - ≥98% , CAS No.154634-96-5

CAS: 154634-96-5 Cat. No.: S587405 Summenformel: C₆H₁₃NO Molekulargewicht: 115.17

GRADE & PURITY ≥98%

Synonyms

trans-3,5-Dimethylmorpholine HCl | BS-52950 | AKOS006335636 | SCHEMBL633324 | EN300-3086633 | A883705 | Morpholine, 3,5-dimethyl-, (3S,5S)- | s12093 | MDKHWJFKHDRFFZ-WDSKDSINSA-N | S,S-Trans-3,5-dimethylmorpholine | S,S-TRANS-3,5-DIMETHYL-MORPHOLINE | Mor

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

trans-3,5-Dimethylmorpholine HCl | BS-52950 | AKOS006335636 | SCHEMBL633324 | EN300-3086633 | A883705 | Morpholine, 3,5-dimethyl-, (3S,5S)- | s12093 | MDKHWJFKHDRFFZ-WDSKDSINSA-N | S,S-Trans-3,5-dimethylmorpholine | S,S-TRANS-3,5-DIMETHYL-MORPHOLINE | Mor

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Protected from light,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 508806536
• Kanonisches Lächeln: CC1COCC(N1)C
• IUPAC Name: (3S,5S)-3,5-dimethylmorpholine
• InChIKey: MDKHWJFKHDRFFZ-WDSKDSINSA-N
• INCHI: 1S/C6H13NO/c1-5-3-8-4-6(2)7-5/h5-7H,3-4H2,1-2H3/t5-,6-/m0/s1
• Isomere SMILES: C[C@H]1COC[C@@H](N1)C
• Alternative CAS-Nummer: 154634-96-5
• Molekulargewicht: 115.17
• Reaxy-Rn: 103033
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=103033&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: 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
• 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: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 115.170 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 115.1 Da
• Monoisotopic Mass: 115.1 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 66.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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