3,4-Diethoxyaniline - ≥98% , CAS No.39052-12-5

CAS: 39052-12-5 Cat. No.: D404259 분자식: C₁₀H₁₅NO₂ 분자량: 181.24 EC 번호: 826-571-3

등급 & 순도 ≥98%

Synonyms

Aniline, 3,4-diethoxy- | IKYZLUAAOLUOFW-UHFFFAOYSA-N | MFCD00026782 | SCHEMBL112468 | FT-0639516 | 3,4-Diethoxyaniline | DTXSID00334498 | NCGC00340732-01 | EN300-34222 | Benzenamine, 3,4-diethoxy- | HMS1409G18 | 3,4-diethoxy-phenylamine, AldrichCPR | AS-1

Storage

Room temperature,Argon charged

개요

Maximum Absorption Wavelength:299nm

사양

동의어

Aniline, 3,4-diethoxy- | IKYZLUAAOLUOFW-UHFFFAOYSA-N | MFCD00026782 | SCHEMBL112468 | FT-0639516 | 3,4-Diethoxyaniline | DTXSID00334498 | NCGC00340732-01 | EN300-34222 | Benzenamine, 3,4-diethoxy- | HMS1409G18 | 3,4-diethoxy-phenylamine, AldrichCPR | AS-1

사양 및 순도

≥98%

보관 조건

Room temperature,Argon charged

순수함

≥98%

이름과 식별자

Pubchem Sid

488190084

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190084

정식 스마일

CCOC1=C(C=C(C=C1)N)OCC

IUPAC Name

3,4-diethoxyaniline

InChIKey

IKYZLUAAOLUOFW-UHFFFAOYSA-N

INCHI

1S/C10H15NO2/c1-3-12-9-6-5-8(11)7-10(9)13-4-2/h5-7H,3-4,11H2,1-2H3

이성체 SMILES

CCOC1=C(C=C(C=C1)N)OCC

분자량

181.24

Reaxy-Rn

2804917

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2804917&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenol ethers
      • Subclass Aminophenyl ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenol ethers
• Subclass: Aminophenyl ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminophenyl ethers
• Alternative Parents: Phenoxy compounds Aniline and substituted anilines Alkyl aryl ethers Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Phenoxy compound - Aniline or substituted anilines - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine 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

• 용해성: Soluble in Methanol
• 감도: Air Sensitive
• 녹는점(°C): 48 °C
• 분자량: 181.230 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 181.11 Da
• Monoisotopic Mass: 181.11 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 141.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.