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

CAS: 154634-96-5 Cat. No.: S587405 分子式: C₆H₁₃NO 分子量: 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

同義語

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

仕様と純度

≥98%

保管条件

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

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

508806536

カノニカル・スマイル

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

異性体SMILES

C[C@H]1COC[C@@H](N1)C

代替CAS番号

154634-96-5

分子量

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
    • 分類 Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 分子量: 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