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4-methoxyazepane - 97%, high purity , CAS No.1071594-49-4

    Grade & Purity:
  • ≥97%
In stock
Item Number
M171896
Grouped product items
SKU Size
Availability
Price Qty
M171896-500mg
500mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,985.90

Basic Description

Synonyms 4-methoxyazepane | 1071594-49-4 | 4-Methoxy-hexahydro-1H-azepine | MFCD17015864 | 4-Methoxy-azepane | CHEMBL4585958 | SCHEMBL12589173 | DTXSID60598958 | AKOS013026930 | PB16681 | AS-33422 | SY098720 | CS-0050817 | EN300-130660 | A801597
Specifications & Purity ≥97%
Storage Temp Room temperature
Shipped In Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Azepanes
Subclass Not available
Intermediate Tree Nodes Not available
Direct Parent Azepanes
Alternative Parents Dialkylamines  Dialkyl ethers  Azacyclic compounds  Hydrocarbon derivatives  
Molecular Framework Aliphatic heteromonocyclic compounds
Substituents Azepane - Azacycle - Secondary amine - Ether - Secondary aliphatic amine - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as azepanes. These are organic compounds containing a saturated seven member heterocycle, with one nitrogen atom.
External Descriptors Not available

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 4-methoxyazepane
INCHI InChI=1S/C7H15NO/c1-9-7-3-2-5-8-6-4-7/h7-8H,2-6H2,1H3
InChIKey MBGKJOCBUBJWCC-UHFFFAOYSA-N
Smiles COC1CCCNCC1
Isomeric SMILES COC1CCCNCC1
Molecular Weight 129.203
Reaxy-Rn 21331478
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21331478&ln=

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight 129.199 g/mol
XLogP3 0.600
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 129.115 Da
Monoisotopic Mass 129.115 Da
Topological Polar Surface Area 21.300 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 75.300
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

Solution Calculators

Reviews

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