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

CAS: 55745-74-9 Cat. No.: A185202 Molecular Weight: 149.19 EC Number: 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

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[

Specifications & Purity

≥98%

Storage

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

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1COC2=C1C=C(C=C2)CN
• Molecular Weight: 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
    • Class Coumarans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Boil Point(°C): 98-100/0.1mm °C
• Melt Point(°C): 38-40 °C
• Molecular Weight: 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