Cas no 147702-27-0 (Benzeneethanamine, -alpha--ethyl-3-methyl-)

Benzeneethanamine,  -alpha--ethyl-3-methyl- structure
147702-27-0 structure
Product Name:Benzeneethanamine, -alpha--ethyl-3-methyl-
CAS No:147702-27-0
MF:C11H17N
MW:163.264g/mol
CID:100705
Update Time:2023-11-19

Benzeneethanamine, -alpha--ethyl-3-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzeneethanamine, a-ethyl-3-methyl-
    • Benzeneethanamine, -alpha--ethyl-3-methyl-
    • 1-(3-methylphenyl)butan-2-amine
    • CID 43566021
    • 1-m-tolylbutan-2-amine
    • Inchi: 1S/C11H17N/c1-3-11(12)8-10-6-4-5-9(2)7-10/h4-7,11H,3,8,12H2,1-2H3
    • InChI Key: UCIXNWNOJITDSI-UHFFFAOYSA-N
    • SMILES: NC(CC)CC1C=CC=C(C)C=1

Computed Properties

  • Exact Mass: 163.136
  • Monoisotopic Mass: 163.136
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 122
  • 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
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 2.6
  • Topological Polar Surface Area: 26
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