1-Isobutoxycarbonyl-2-isobutoxy-1,2-dihydroquinoline - ≥98% , CAS No.38428-14-7

CAS: 38428-14-7 Cat. No.: I109333 Peso molecular: 303.4 Beilstein Registry Number: 1543065 Número EC: 253-925-9

GRADE & PURITY ≥98%

Synonyms

3C95768C-C28C-4AF9-A119-01AC8F0B963B | DIMETHYLAMINE, (ANHYDROUS) | Isobutyl 1,2-dihydro-2-isobutoxy-1-quinolinecarboxylate, 99% | AKOS025243294 | EINECS 253-925-9 | AKOS016843096 | 2-Isobutoxy-1-(isobutoxycarbonyl)-1,2-dihydroquinoline | 1-Isobutoxycarbo

Storage

Desiccated,Room temperature

Shipped In

Normal

Specifications

Sinónimos

3C95768C-C28C-4AF9-A119-01AC8F0B963B | DIMETHYLAMINE, (ANHYDROUS) | Isobutyl 1, 2-dihydro-2-isobutoxy-1-quinolinecarboxylate, 99% | AKOS025243294 | EINECS 253-925-9 | AKOS016843096 | 2-Isobutoxy-1-(isobutoxycarbonyl)-1, 2-dihydroquinoline | 1-Isobutoxycarbo

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Desiccated, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488187214
• Sonrisas canónicas: CC(C)COC1C=CC2=CC=CC=C2N1C(=O)OCC(C)C
• IUPAC Name: 2-methylpropyl 2-(2-methylpropoxy)-2H-quinoline-1-carboxylate
• InChIKey: LPBHYOYZZIFCQT-UHFFFAOYSA-N
• INCHI: 1S/C18H25NO3/c1-13(2)11-21-17-10-9-15-7-5-6-8-16(15)19(17)18(20)22-12-14(3)4/h5-10,13-14,17H,11-12H2,1-4H3
• Isómeros SMILES: CC(C)COC1C=CC2=CC=CC=C2N1C(=O)OCC(C)C
• WGK Alemania: 3
• Peso molecular: 303.4
• Beilstein: 1543065
• Reaxy-Rn: 1543065
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1543065&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Hydroquinolines Benzenoids Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinolone - Dihydroquinoline - Benzenoid - Carbamic acid ester - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
• 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

Propiedades químicas y físicas

• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): ＞230°F
• Punto de ebullición (°C): 140-142°C
• Peso molecular: 303.400 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 303.183 Da
• Monoisotopic Mass: 303.183 Da
• Topological Polar Surface Area: 38.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 392.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1