4-(2-(4-Nitrophenoxy)ethyl)morpholine - ≥97% , CAS No.65300-53-0

CAS: 65300-53-0 Cat. No.: N185829 분자식: C₁₂H₁₆N₂O₄ 분자량: 252.3

등급 & 순도 ≥97%

Synonyms

5W-0610 | CBMicro_021682 | AKOS005070744 | Cambridge id 5477998 | AC-9357 | BIM-0021536.P001 | FT-0680479 | Oprea1_297812 | Oprea1_317638 | MFCD00434241 | DTXSID30355434 | 4-[2-(4-nitrophenoxy)ethyl]morpholine | 4-[2-(4-nitro-phenoxy)-ethyl]-morpholine |

Storage

Room temperature

Shipped In

Normal

사양

동의어

5W-0610 | CBMicro_021682 | AKOS005070744 | Cambridge id 5477998 | AC-9357 | BIM-0021536.P001 | FT-0680479 | Oprea1_297812 | Oprea1_317638 | MFCD00434241 | DTXSID30355434 | 4-[2-(4-nitrophenoxy)ethyl]morpholine | 4-[2-(4-nitro-phenoxy)-ethyl]-morpholine |

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

Pubchem Sid

488191491

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191491

정식 스마일

C1COCCN1CCOC2=CC=C(C=C2)[N+](=O)[O-]

IUPAC Name

4-[2-(4-nitrophenoxy)ethyl]morpholine

InChIKey

BERKHGFFGHNCSO-UHFFFAOYSA-N

INCHI

1S/C12H16N2O4/c15-14(16)11-1-3-12(4-2-11)18-10-7-13-5-8-17-9-6-13/h1-4H,5-10H2

이성체 SMILES

C1COCCN1CCOC2=CC=C(C=C2)[N+](=O)[O-]

분자량

252.3

Reaxy-Rn

211666

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=211666&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenyl ethers
• Alternative Parents: Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Morpholines Trialkylamines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitrophenyl ether - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Morpholine - Oxazinane - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Dialkyl ether - Ether - Organic oxoazanium - Oxacycle - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
• 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

• 녹는점(°C): 79-80°C
• 분자량: 252.270 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 252.111 Da
• Monoisotopic Mass: 252.111 Da
• Topological Polar Surface Area: 67.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 255.000
• 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