3-Ethoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde - ≥98% , CAS No.350998-38-8

CAS: 350998-38-8 Cat. No.: E1058020 분자식: C₁₅H₂₁NO₄ 분자량: 279.336 PubChem CID: 874622

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

사양 및 순도

≥98%

보관 조건

Room temperature

순수함

≥98%

이름과 식별자

• 정식 스마일: CCOC1=C(C=CC(=C1)C=O)OCCN2CCOCC2
• IUPAC Name: 3-ethoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde
• InChIKey: KSIGUWFSCPOXGJ-UHFFFAOYSA-N
• INCHI: 1S/C15H21NO4/c1-2-19-15-11-13(12-17)3-4-14(15)20-10-7-16-5-8-18-9-6-16/h3-4,11-12H,2,5-10H2,1H3
• 이성체 SMILES: CCOC1=C(C=CC(=C1)C=O)OCCN2CCOCC2
• PubChem CID: 874622
• 분자량: 279.336

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Benzoyl derivatives Benzaldehydes Alkyl aryl ethers Morpholines Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzaldehyde - Benzoyl - Phenol ether - Phenoxy compound - Alkyl aryl ether - Aryl-aldehyde - Monocyclic benzene moiety - Morpholine - Oxazinane - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Aldehyde - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a 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

• 분자량: 279.330 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 279.147 Da
• Monoisotopic Mass: 279.147 Da
• Topological Polar Surface Area: 48.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 281.000
• 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