Cas no 653604-37-6 (3-(pentan-3-yloxy)aniline)

3-(pentan-3-yloxy)aniline structure
3-(pentan-3-yloxy)aniline structure
Product Name:3-(pentan-3-yloxy)aniline
CAS No:653604-37-6
MF:C11H17NO
MW:179.258783102036
CID:399635
PubChem ID:71376005
Update Time:2025-04-19

3-(pentan-3-yloxy)aniline Chemical and Physical Properties

Names and Identifiers

    • Benzenamine, 3-(1-ethylpropoxy)-
    • 3-pentan-3-yloxyaniline
    • 3-(pentan-3-yloxy)aniline
    • EN300-1295049
    • AKOS017530089
    • DTXSID90798727
    • 653604-37-6
    • 3-[(Pentan-3-yl)oxy]aniline
    • Inchi: 1S/C11H17NO/c1-3-10(4-2)13-11-7-5-6-9(12)8-11/h5-8,10H,3-4,12H2,1-2H3
    • InChI Key: CTVFZKRSQYSPRP-UHFFFAOYSA-N
    • SMILES: O(C1C=CC=C(C=1)N)C(CC)CC

Computed Properties

  • Exact Mass: 179.13111
  • Monoisotopic Mass: 179.131014166g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 134
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 35.2?2

Experimental Properties

  • PSA: 35.25

3-(pentan-3-yloxy)aniline Pricemore >>

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