5-(Aminomethyl)-2,3-dihydrobenzo[b]furan - ≥98% , CAS No.55745-74-9

CAS: 55745-74-9 Cat. No.: A185202 Peso molecular: 149.19 Número EC: 672-985-0

GRADE & PURITY ≥98%

Synonyms

A830782 | (2,3-Dihydro-benzofuran-5-ylmethyl) amine | 2,3-dihydrobenzo[b]furan-5-ylmethylamine, AldrichCPR | PS-4362 | c-2,3-dihydrobenzofuran-5-ylmethylamine | 1-(2,3-dihydro-1-benzofuran-5-yl)methanamine | EN300-64305 | 5-(Aminomethyl)-2,3-dihydrobenzo[

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

A830782 | (2, 3-Dihydro-benzofuran-5-ylmethyl) amine | 2, 3-dihydrobenzo[b]furan-5-ylmethylamine, AldrichCPR | PS-4362 | c-2, 3-dihydrobenzofuran-5-ylmethylamine | 1-(2, 3-dihydro-1-benzofuran-5-yl)methanamine | EN300-64305 | 5-(Aminomethyl)-2, 3-dihydrobenzo[

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1COC2=C1C=C(C=C2)CN
• IUPAC Name: 2,3-dihydro-1-benzofuran-5-ylmethanamine
• InChIKey: WQXWNTPLZFVZNX-UHFFFAOYSA-N
• INCHI: 1S/C9H11NO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5H,3-4,6,10H2
• Isómeros SMILES: C1COC2=C1C=C(C=C2)CN
• Peso molecular: 149.19
• Reaxy-Rn: 9387728
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9387728&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Coumarans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Coumarans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarans
• Alternative Parents: Aralkylamines Alkyl aryl ethers Benzenoids Oxacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumaran - Alkyl aryl ether - Aralkylamine - Benzenoid - Oxacycle - Ether - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as coumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran ring.
• 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

• Sensibilidad: Light sensitive
• Punto de ebullición (°C): 98-100/0.1mm °C
• Punto de fusión (°C): 38-40 °C
• Peso molecular: 149.190 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 149.084 Da
• Monoisotopic Mass: 149.084 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• 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