이소퀴놀린 - ≥97% , CAS No.119-65-3

CAS: 119-65-3 Cat. No.: I105573 분자식: C₉H₇N 분자량: 129.16 Beilstein Registry Number: 107549 EC 번호: 204-341-8

등급 & 순도 ≥97%

Synonyms

Isochinolin|2-Benzazine|beta-Quinoline|8-(1,4-diazepan-1-ylsulfonyl)isoquinoline|Benzo[c]pyridine|Isoquinoline-5,8-D2|.beta.-Quinoline|2-Azanaphthalene|ISOQUINOLINE [MI]|3,4-Benzopyridine|beta -quinoline|ISQ|ISOQUINOLINE|2-Benzanine|ISOQUINOLINE [FHFI]|isoquinolin|Isochinolin [Czech]

Storage

Argon charged,Room temperature

Shipped In

보통

개요

이소퀴놀린은 다음과 같이 사용할 수 있습니다:

- 폴리(이미드) 합성의 촉매.

- 요오드를 촉매로 사용하는 N-벤질 이소퀴놀린-1,3,4-트리온 합성의 반응물.

- 2H- 이미다조[5,1-a]이소퀴놀리늄 클로라이드 합성의 반응물.

사양

동의어

Isochinolin | 2-Benzazine | beta-Quinoline | 8-(1,4-diazepan-1-ylsulfonyl)isoquinoline | Benzo[c]pyridine | Isoquinoline-5,8-D2 | .beta.-Quinoline | 2-Azanaphthalene | ISOQUINOLINE [MI] | 3,4-Benzopyridine | beta -quinoline | ISQ | ISOQUINOLINE | 2-Benzanine | ISOQUINOLINE [FHFI] | isoquinolin | Isochinolin [Czech]

사양 및 순도

≥97%

보관 조건

Argon charged,Room temperature

배송

보통

작업 유형

INHIBITOR

순수함

≥97%

이름과 식별자

Pubchem Sid

488180779

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180779

정식 스마일

C1=CC=C2C=NC=CC2=C1

IUPAC Name

isoquinoline

InChIKey

AWJUIBRHMBBTKR-UHFFFAOYSA-N

INCHI

1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H

이성체 SMILES

C1=CC=C2C=NC=CC2=C1

WGK 독일

2

RTECS

NW6825000

UN 번호

2811

분자량

129.16

Beilstein

107549

Reaxy-Rn

107549

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107549&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Isoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Isoquinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolines and derivatives
• Alternative Parents: Pyridines and derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinoline - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
• External Descriptors: a small molecule

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)

SLC6A3 Tclin Dopamine transporter (10535 Activities)

Discover Target: SLC6A3

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

ROCK1 Tclin Rho-associated protein kinase 1 (4723 Activities)

Discover Target: ROCK1

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

Homo sapiens (32628 Activities)

Explore this target

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

MOLT-4 (49676 Activities)

Explore this target

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

Skin (286 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solubility in water: Practically Insoluble; Degree of Solubility in water: 6,110 mg/l 25 °C
• 감도: air sensitive
• 동결점(°C): 23 °C
• 굴절률: 1.623
• 발화점(°F): 215.6 °F
• 발화점(°C): 107℃
• 끓는점(°C): 243°C
• 녹는점(°C): 25.6°C
• 분자량: 129.160 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 129.058 Da
• Monoisotopic Mass: 129.058 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 111.000
• 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 ≥97% 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.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 119-65-3, the molecular formula is C9H7N, and the molecular weight is 129.16 g/mol. InChIKey AWJUIBRHMBBTKR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.