2,3-Dihydro-1,4-benzodioxin-6-ylmethylamine - ≥95% , CAS No.17413-10-4

CAS: 17413-10-4 Cat. No.: D182101 Molecular Weight: 165.2 EC Number: 241-440-5

GRADE & PURITY ≥95%

Synonyms

AM803343 | FUDYRLUSXBRPIA-UHFFFAOYSA-N | DTXSID80169765 | 1,4-Benzodioxin-6-methanamine,2,3-dihydro- | 6-(Aminomethyl)-1,4-benzodioxane | (2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amine | (2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)methanamine | 3-Fluor-salicylald

Storage

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

Shipped In

Wet ice

Specifications

Synonyms

AM803343 | FUDYRLUSXBRPIA-UHFFFAOYSA-N | DTXSID80169765 | 1, 4-Benzodioxin-6-methanamine, 2, 3-dihydro- | 6-(Aminomethyl)-1, 4-benzodioxane | (2, 3-dihydro-1, 4-benzodioxin-6-ylmethyl)amine | (2, 3-Dihydrobenzo[b][1, 4]dioxin-6-yl)methanamine | 3-Fluor-salicylald

Specifications & Purity

≥95%

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

≥95%

Names and Identifiers

• Pubchem Sid: 504755863
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755863
• Canonical Smiles: C1COC2=C(O1)C=CC(=C2)CN
• IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethanamine
• InChIKey: FUDYRLUSXBRPIA-UHFFFAOYSA-N
• INCHI: 1S/C9H11NO2/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5H,3-4,6,10H2
• Isomeric SMILES: C1COC2=C(O1)C=CC(=C2)CN
• Molecular Weight: 165.2
• Reaxy-Rn: 1425835
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1425835&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzodioxanes
      • Subclass Benzo-1,4-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzodioxanes
• Subclass: Benzo-1,4-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzo-1,4-dioxanes
• Alternative Parents: Aralkylamines Alkyl aryl ethers Para dioxins Benzenoids Oxacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzo-1,4-dioxane - Alkyl aryl ether - Aralkylamine - Para-dioxin - Benzenoid - Ether - Oxacycle - Primary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane 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

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 165.190 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 165.079 Da
• Monoisotopic Mass: 165.079 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 151.000
• 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