6-Amino-3,4-dihydro-1(2H)-naphthalenone - ≥97% , CAS No.3470-53-9

CAS: 3470-53-9 Cat. No.: W133312 Molecular Weight: 161.2 EC Number: 629-055-4 PubChem CID: 339537

GRADE & PURITY ≥97%

Synonyms

6-amino-3,4-dihydronaphthalen-1 (2H)-one | 6-amino-3,4-dihydro-2H-naphthalen-1-one | 6-Aminotetralone | Z968852624 | SR-01000597237 | 6-amino-3,4-dihydronaphthalen-1(2H)-one | 6-Azanyl-3,4-Dihydro-2~{h}-Naphthalen-1-One | PS-4444 | AM90201 | CHEBI:194584

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

6-amino-3, 4-dihydronaphthalen-1 (2H)-one | 6-amino-3, 4-dihydro-2H-naphthalen-1-one | 6-Aminotetralone | Z968852624 | SR-01000597237 | 6-amino-3, 4-dihydronaphthalen-1(2H)-one | 6-Azanyl-3, 4-Dihydro-2~{h}-Naphthalen-1-One | PS-4444 | AM90201 | CHEBI:194584

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CC2=C(C=CC(=C2)N)C(=O)C1
• IUPAC Name: 6-amino-3,4-dihydro-2H-naphthalen-1-one
• InChIKey: BEVVUJBVEXJGKM-UHFFFAOYSA-N
• INCHI: 1S/C10H11NO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6H,1-3,11H2
• Isomeric SMILES: C1CC2=C(C=CC(=C2)N)C(=O)C1
• WGK Germany: 3
• PubChem CID: 339537
• Molecular Weight: 161.2
• Reaxy-Rn: 2207358

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: Aryl alkyl ketones Primary amines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - Aryl alkyl ketone - Aryl ketone - Ketone - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: Moisture sensitive.
• Melt Point(°C): 128-133 °C
• Molecular Weight: 161.200 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 161.084 Da
• Monoisotopic Mass: 161.084 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 190.000
• 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