Cas no 383130-52-7 (2-(3-Methylbenzyl)azepane)

2-(3-Methylbenzyl)azepane structure
2-(3-Methylbenzyl)azepane structure
Product Name:2-(3-Methylbenzyl)azepane
CAS No:383130-52-7
MF:C14H21N
MW:203.32324385643
CID:298497
PubChem ID:5236196
Update Time:2025-04-19

2-(3-Methylbenzyl)azepane Chemical and Physical Properties

Names and Identifiers

    • 1H-Azepine,hexahydro-2-[(3-methylphenyl)methyl]-
    • 2-[(3-methylphenyl)methyl]azepane
    • 2-(3-methylbenzyl)azepane
    • BBL021207
    • CTK4H9693
    • HEXAHYDRO-2-[(3-METHYLPHENYL)METHYL]-1H-AZEPINE
    • MolPort-000-148-671
    • STK893913
    • 383130-52-7
    • AKOS005144001
    • DTXSID30412192
    • 2-(3-Methylbenzyl)azepane
    • Inchi: 1S/C14H21N/c1-12-6-5-7-13(10-12)11-14-8-3-2-4-9-15-14/h5-7,10,14-15H,2-4,8-9,11H2,1H3
    • InChI Key: BVEYMEOFVJRZEG-UHFFFAOYSA-N
    • SMILES: N1CCCCCC1CC1C=CC=C(C)C=1

Computed Properties

  • Exact Mass: 203.16753
  • Monoisotopic Mass: 203.167399674g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 178
  • 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: 3.4
  • Topological Polar Surface Area: 12?2

Experimental Properties

  • PSA: 12.03

2-(3-Methylbenzyl)azepane Pricemore >>

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