4-methoxyazepane - ≥97% , CAS No.1071594-49-4

CAS: 1071594-49-4 Cat. No.: M171896 Summenformel: C₇H₁₅NO Molekulargewicht: 129.203

GRADE & PURITY ≥97%

Synonyms

SY098720 | 4-Methoxy-hexahydro-1H-azepine | DTXSID60598958 | 1071594-49-4 | A801597 | AS-33422 | SCHEMBL12589173 | EN300-130660 | PB16681 | AKOS013026930 | MFCD17015864 | 4-methoxyazepane | 4-Methoxy-azepane

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

SY098720 | 4-Methoxy-hexahydro-1H-azepine | DTXSID60598958 | 1071594-49-4 | A801597 | AS-33422 | SCHEMBL12589173 | EN300-130660 | PB16681 | AKOS013026930 | MFCD17015864 | 4-methoxyazepane | 4-Methoxy-azepane

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

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

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azepanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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