3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine - ≥97% , CAS No.502612-49-9

CAS: 502612-49-9 Cat. No.: D634001 Molecular Weight: 150.18 EC Number: 995-190-3

GRADE & PURITY ≥97%

Synonyms

2H-Pyrano[3,2-b]pyridin-4-amine,3,4-dihydro-(9CI) | SCHEMBL5051454 | 2H,3H,4H-PYRANO[3,2-B]PYRIDIN-4-AMINE | 3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine | 4-AMINO-3,4-DIHYDRO-2H-PYRANO[3,2-B]PYRIDINE | WBEVIMZYSNHMAN-UHFFFAOYSA-N | AKOS016004492 | CVA6124

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2H-Pyrano[3, 2-b]pyridin-4-amine, 3, 4-dihydro-(9CI) | SCHEMBL5051454 | 2H, 3H, 4H-PYRANO[3, 2-B]PYRIDIN-4-AMINE | 3, 4-dihydro-2H-pyrano[3, 2-b]pyridin-4-amine | 4-AMINO-3, 4-DIHYDRO-2H-PYRANO[3, 2-B]PYRIDINE | WBEVIMZYSNHMAN-UHFFFAOYSA-N | AKOS016004492 | CVA6124

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1COC2=C(C1N)N=CC=C2
• IUPAC Name: 3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine
• InChIKey: WBEVIMZYSNHMAN-UHFFFAOYSA-N
• INCHI: 1S/C8H10N2O/c9-6-3-5-11-7-2-1-4-10-8(6)7/h1-2,4,6H,3,5,9H2
• Isomeric SMILES: C1COC2=C(C1N)N=CC=C2
• Alternate CAS: 502612-49-9
• Molecular Weight: 150.18
• Reaxy-Rn: 9387368
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9387368&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyranopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyranopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyranopyridines
• Alternative Parents: Aralkylamines Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyranopyridine - Alkyl aryl ether - Aralkylamine - Pyridine - Heteroaromatic compound - Ether - Oxacycle - Azacycle - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyranopyridines. These are polycyclic aromatic compounds containing a pyran ring fused to a pyridine 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

• Molecular Weight: 150.180 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 150.079 Da
• Monoisotopic Mass: 150.079 Da
• Topological Polar Surface Area: 48.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 140.000
• 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