4-Methylmorpholine N-oxide monohydrate - ≥95% , CAS No.70187-32-5

CAS: 70187-32-5 Cat. No.: M493173 분자식: C₅H₁₁NO₂·H₂O 분자량: 135.16 Beilstein Registry Number: 507437 EC 번호: 676-991-4

GRADE & PURITY ≥95%

Synonyms

4-Methylmorpholine N-oxide monohydrate|70187-32-5|4-Methylmorpholine N-oxide Hydrate|80913-66-2|N-Methylmorpholine N-oxide monohydrate|4-Methylmorpholine 4-oxide hydrate|N-methylmorpholine oxide monohydrate|MFCD00149388|N-methylmorpholine-N-oxide monohydr

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

동의어

4-Methylmorpholine N-oxide monohydrate | 70187-32-5 | 4-Methylmorpholine N-oxide Hydrate | 80913-66-2 | N-Methylmorpholine N-oxide monohydrate | 4-Methylmorpholine 4-oxide hydrate | N-methylmorpholine oxide monohydrate | MFCD00149388 | N-methylmorpholine-N-oxide monohydr

사양 및 순도

≥95%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥95%

이름과 식별자

Pubchem Sid

504760864

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760864

정식 스마일

C[N+]1(CCOCC1)[O-].O

IUPAC Name

4-methyl-4-oxidomorpholin-4-ium;hydrate

InChIKey

WAZPLXZGZWWXDQ-UHFFFAOYSA-N

INCHI

1S/C5H11NO2.H2O/c1-6(7)2-4-8-5-3-6;/h2-5H2,1H3;1H2

이성체 SMILES

C[N+]1(CCOCC1)[O-].O

WGK 독일

1

대체 CAS

80913-66-2

분자량

135.16

Beilstein

507437

Reaxy-Rn

5449441

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5449441&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Morpholines
• Alternative Parents: Trialkyl amine oxides Trisubstituted amine oxides and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - Trialkyl amine oxide - N-oxide - Dialkyl ether - Ether - Trisubstituted n-oxide - Azacycle - Oxacycle - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organopnictogen compound - Aliphatic heteromonocyclic compound
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in water.
• 감도: Hygroscopic
• 녹는점(°C): 73-76°C
• 분자량: 135.160 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 135.09 Da
• Monoisotopic Mass: 135.09 Da
• Topological Polar Surface Area: 28.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 78.500
• 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: 2

XLogP3