3-Cloroisochinolina-5-ammina - ≥96% , CAS No.58142-49-7

CAS: 58142-49-7 Cat. No.: C194048 Formula: C₉H₇ClN₂ Peso molecolare: 178.62 Numero EC: 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

Normale

Specifications

Sinonimi

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

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Normale

Purezza

≥96%

Nomi e identificatori

• Pubchem Sid: 528758765
• Sorrisi canonici: 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
• Isomeri SMILES: C1=CC2=CN=C(C=C2C(=C1)N)Cl
• Peso molecolare: 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
    • Classe Quinolines and derivatives
      • Subclass Aminoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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