5-에톡시-1h-인돌-3-카발데히드 - ≥95% , CAS No.169789-47-3

CAS: 169789-47-3 Cat. No.: E182007 분자식: C₁₁H₁₁NO₂ 분자량: 189.21

GRADE & PURITY ≥95%

Synonyms

5-Ethoxy-1H-indole-3-carbaldehyde, AldrichCPR | 5-ethoxy-1H-indole-3-carbaldehyde;5-Ethoxyindole-3-carbaldehyde | SY039682 | SCHEMBL4607814 | 5-ethoxyindole-3-carbaldehyde | A811143 | FT-0659307 | DS-0188 | DTXSID20406464 | MFCD07364715 | 1H-Indole-3-carb

Storage

Store at 2-8°C,Argon charged

Shipped In

보통

Specifications

동의어

5-Ethoxy-1H-indole-3-carbaldehyde, AldrichCPR | 5-ethoxy-1H-indole-3-carbaldehyde;5-Ethoxyindole-3-carbaldehyde | SY039682 | SCHEMBL4607814 | 5-ethoxyindole-3-carbaldehyde | A811143 | FT-0659307 | DS-0188 | DTXSID20406464 | MFCD07364715 | 1H-Indole-3-carb

사양 및 순도

≥95%

보관 조건

Store at 2-8°C,Argon charged

배송

보통

순수함

≥95%

이름과 식별자

정식 스마일

CCOC1=CC2=C(C=C1)NC=C2C=O

IUPAC Name

5-ethoxy-1H-indole-3-carbaldehyde

InChIKey

MSEZSIQZGXBEDM-UHFFFAOYSA-N

INCHI

1S/C11H11NO2/c1-2-14-9-3-4-11-10(5-9)8(7-13)6-12-11/h3-7,12H,2H2,1H3

이성체 SMILES

CCOC1=CC2=C(C=C1)NC=C2C=O

분자량

189.21

Reaxy-Rn

7290208

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7290208&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Phenol ethers Aryl-aldehydes Alkyl aryl ethers Substituted pyrroles Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Phenol ether - Alkyl aryl ether - Aryl-aldehyde - Substituted pyrrole - Benzenoid - Vinylogous amide - Pyrrole - Heteroaromatic compound - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Aldehyde - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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

• 감도: Air sensitive
• 분자량: 189.210 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 189.079 Da
• Monoisotopic Mass: 189.079 Da
• Topological Polar Surface Area: 42.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 207.000
• 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