3-Chloroisoquinolin-5-amine - ≥96% , CAS No.58142-49-7

CAS: 58142-49-7 Cat. No.: C194048 分子式: C₉H₇ClN₂ 分子量: 178.62 EC番号: 993-309-3

GRADE & PURITY ≥96%

Synonyms

5-isoquinolinamine,3-chloro-(9ci) | FT-0647654 | 3-chloroisoquinolin-5-amine | SCHEMBL2315041 | 5-Amino-3-chloroisoquinoline;3-Chloroisoquinolin-5-amine | A847279 | AKOS005257225 | 5-Isoquinolinamine, 3-chloro- | DS-10686 | EN300-1425520 | SB21495 | 5-AMI

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

同義語

5-isoquinolinamine,3-chloro-(9ci) | FT-0647654 | 3-chloroisoquinolin-5-amine | SCHEMBL2315041 | 5-Amino-3-chloroisoquinoline;3-Chloroisoquinolin-5-amine | A847279 | AKOS005257225 | 5-Isoquinolinamine, 3-chloro- | DS-10686 | EN300-1425520 | SB21495 | 5-AMI

仕様と純度

≥96%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥96%

名前と識別子

パブケム・シド

528758765

カノニカル・スマイル

C1=CC2=CN=C(C=C2C(=C1)N)Cl

IUPAC Name

3-chloroisoquinolin-5-amine

InChIKey

ZITUQCQEDBPHMJ-UHFFFAOYSA-N

INCHI

1S/C9H7ClN2/c10-9-4-7-6(5-12-9)2-1-3-8(7)11/h1-5H,11H2

異性体SMILES

C1=CC2=CN=C(C=C2C(=C1)N)Cl

分子量

178.62

Reaxy-Rn

387732

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=387732&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Quinolines and derivatives
      • Subclass Aminoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminoquinolines and derivatives
• Alternative Parents: Isoquinolines and derivatives 2-halopyridines Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aminoquinoline - Isoquinoline - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.
• 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

化学的性質と物理的性質

• 分子量: 178.620 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 178.03 Da
• Monoisotopic Mass: 178.03 Da
• Topological Polar Surface Area: 38.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 163.000
• 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