2-(3,4-Dihydro-2H-quinolin-1-yl)-ethylamine - ≥97% , CAS No.37481-18-8

CAS: 37481-18-8 Cat. No.: D184108 Molecular Weight: 176.3 EC Number: 837-763-1

GRADE & PURITY ≥97%

Synonyms

2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine;2-(3,4-Dihydroquinolin-1(2H)-yl)ethanamine | 2-(3,4-Dihydroquinolin-1(2H)-yl)ethanamine | F2187-2208 | N-(2-Aminoethyl)-1 pound not2 pound not3 pound not4-tetrahydroquinoline | SCHEMBL4700805 | 2-(3,4-Dihydro-2h-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-(3, 4-dihydro-2H-quinolin-1-yl)ethanamine;2-(3, 4-Dihydroquinolin-1(2H)-yl)ethanamine | 2-(3, 4-Dihydroquinolin-1(2H)-yl)ethanamine | F2187-2208 | N-(2-Aminoethyl)-1 pound not2 pound not3 pound not4-tetrahydroquinoline | SCHEMBL4700805 | 2-(3, 4-Dihydro-2h-

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CC2=CC=CC=C2N(C1)CCN
• IUPAC Name: 2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
• InChIKey: ALWARSIRJIEZMK-UHFFFAOYSA-N
• INCHI: 1S/C11H16N2/c12-7-9-13-8-3-5-10-4-1-2-6-11(10)13/h1-2,4,6H,3,5,7-9,12H2
• Isomeric SMILES: C1CC2=CC=CC=C2N(C1)CCN
• Molecular Weight: 176.3
• Reaxy-Rn: 1371155
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1371155&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Hydroquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Hydroquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolines
• Alternative Parents: Dialkylarylamines Aralkylamines Benzenoids Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroquinoline - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Tertiary amine - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 176.260 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 176.131 Da
• Monoisotopic Mass: 176.131 Da
• Topological Polar Surface Area: 29.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 158.000
• 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