Indoline - ≥99% , CAS No.496-15-1

CAS: 496-15-1 Cat. No.: I103557 분자식: C₈H₉N 분자량: 119.16 Beilstein Registry Number: 111915 EC 번호: 207-816-8

등급 & 순도 ≥99%

Synonyms

Indoline, 19|Dihydroindole|Indoline|indoline-|Azaindane|aza-indane|2,3-DIHYDROINDOLE|1H-Indole, 2,3-dihydro-|1-Azaindan|2,3-Dihydro-1H-indole|2,3-dihydro-1 H-indole|Indole, 2,3-dihydro-|(2,4-DIMETHYLPHENYL)THIO]ACETICACID

Storage

Argon charged,Room temperature

Shipped In

Normal

사양

동의어

Indoline, 19 | Dihydroindole | Indoline | indoline- | Azaindane | aza-indane | 2,3-DIHYDROINDOLE | 1H-Indole, 2,3-dihydro- | 1-Azaindan | 2,3-Dihydro-1H-indole | 2,3-dihydro-1 H-indole | Indole, 2,3-dihydro- | (2,4-DIMETHYLPHENYL)THIO]ACETICACID

사양 및 순도

≥99%

보관 조건

Argon charged,Room temperature

배송

Normal

순수함

≥99%

이름과 식별자

Pubchem Sid

488181115

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181115

정식 스마일

C1CNC2=CC=CC=C21

IUPAC Name

2,3-dihydro-1H-indole

InChIKey

LPAGFVYQRIESJQ-UHFFFAOYSA-N

INCHI

1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2

이성체 SMILES

C1CNC2=CC=CC=C21

WGK 독일

3

RTECS

NL6906300

분자량

119.16

Beilstein

111915

Reaxy-Rn

111915

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=111915&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Indoles and derivatives
• Subclass: Indolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolines
• Alternative Parents: Secondary alkylarylamines Aralkylamines Benzenoids Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Azacycle - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
• External Descriptors: indoles

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

관련 대상(인간)

CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)

Discover Target: CES1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Fully misicible in water at 5 g/L (20°C).
• 감도: Light & Air Sensitive
• 굴절률: 1.592
• 발화점(°F): 199.4 °F
• 발화점(°C): 92°C
• 끓는점(°C): 220-221°C
• 녹는점(°C): -21°C
• 분자량: 119.160 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 119.073 Da
• Monoisotopic Mass: 119.073 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 101.000
• 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