Cas no 168890-46-8 (2-(4-Methoxyphenyl)azepane)

2-(4-Methoxyphenyl)azepane structure
2-(4-Methoxyphenyl)azepane structure
Product Name:2-(4-Methoxyphenyl)azepane
CAS No:168890-46-8
MF:C13H19NO
MW:205.296063661575
MDL:MFCD02663710
CID:905104
PubChem ID:3499053
Update Time:2025-04-19

2-(4-Methoxyphenyl)azepane Chemical and Physical Properties

Names and Identifiers

    • 2-(4-Methoxyphenyl)azepane
    • 2-(4-Methoxy-phenyl)-azepane
    • 1-azaperhydroepin-2-yl-4-methoxybenzene
    • AC1MRV1T
    • AC1Q4AWP
    • CTK4D3135
    • Oprea1_075692
    • SBB018071
    • SureCN4599631
    • Z119967288
    • 168890-46-8
    • AKOS000118132
    • HMS1745H22
    • CS-0309025
    • G22653
    • AKOS016040157
    • EN300-15236
    • MFCD02663710
    • DTXSID20393067
    • BBL020505
    • PS-0288
    • SCHEMBL4599631
    • STK501128
    • MDL： MFCD02663710
    • Inchi： 1S/C13H19NO/c1-15-12-8-6-11(7-9-12)13-5-3-2-4-10-14-13/h6-9,13-14H,2-5,10H2,1H3
    • InChI Key： WWJBDSBGLBEFSH-UHFFFAOYSA-N
    • SMILES： O(C)C1C=CC(=CC=1)C1CCCCCN1

Computed Properties

  • Exact Mass: 205.14677
  • Monoisotopic Mass: 205.146664230g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 175
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.5
  • Topological Polar Surface Area: 21.3?2

Experimental Properties

  • PSA: 21.26

2-(4-Methoxyphenyl)azepane Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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Chemenu
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abcr
AB382604-500 mg
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A2B Chem LLC
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