1,4-Benzodioxan-5-amine - ≥97% , CAS No.16081-45-1

CAS: 16081-45-1 Cat. No.: D174599 Peso molecular: 151.165 Número EC: 605-229-5

GRADE & PURITY ≥97%

Synonyms

STL553791 | 1,4-BENZODIOXAN-5-AMINE | 5-AMINO-2,3-DIHYDRO-1,4-BENZODIOXINE | AKOS005255325 | DTXSID70472614 | 2,3-dihydro-1,4-benzodioxin-5-amine | 2,3-Dihydrobenzo[b][1,4]dioxin-5-amine | 5-Amino-1,4-benzodioxane | BCP11255 | W-205868 | MFCD03695459 | DM

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

STL553791 | 1, 4-BENZODIOXAN-5-AMINE | 5-AMINO-2, 3-DIHYDRO-1, 4-BENZODIOXINE | AKOS005255325 | DTXSID70472614 | 2, 3-dihydro-1, 4-benzodioxin-5-amine | 2, 3-Dihydrobenzo[b][1, 4]dioxin-5-amine | 5-Amino-1, 4-benzodioxane | BCP11255 | W-205868 | MFCD03695459 | DM

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504766730
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766730
• Sonrisas canónicas: C1COC2=C(C=CC=C2O1)N
• IUPAC Name: 2,3-dihydro-1,4-benzodioxin-5-amine
• InChIKey: DMLRSJNZORFCBD-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3H,4-5,9H2
• Isómeros SMILES: C1COC2=C(C=CC=C2O1)N
• Peso molecular: 151.165
• Reaxy-Rn: 7423597
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7423597&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzodioxanes
• Subclass: Benzo-1,4-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzo-1,4-dioxanes
• Alternative Parents: Alkyl aryl ethers Primary aromatic amines Para dioxins Benzenoids Oxacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzo-1,4-dioxane - Alkyl aryl ether - Para-dioxin - Benzenoid - Primary aromatic amine - Ether - Oxacycle - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 151.160 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 151.063 Da
• Monoisotopic Mass: 151.063 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 140.000
• 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