Cas no 646068-89-5 (Benzamide, 3-[(1-methylethyl)amino]-)

Benzamide, 3-[(1-methylethyl)amino]- structure
646068-89-5 structure
Product Name:Benzamide, 3-[(1-methylethyl)amino]-
CAS No:646068-89-5
MF:C10H14N2O
MW:178.230962276459
CID:421210
PubChem ID:28650611
Update Time:2025-04-19

Benzamide, 3-[(1-methylethyl)amino]- Chemical and Physical Properties

Names and Identifiers

    • Benzamide, 3-[(1-methylethyl)amino]-
    • 3-(propan-2-ylamino)benzamide
    • 646068-89-5
    • DTXSID30651544
    • SCHEMBL13841107
    • 3-[(Propan-2-yl)amino]benzamide
    • Z266377268
    • AKOS009051198
    • Inchi: 1S/C10H14N2O/c1-7(2)12-9-5-3-4-8(6-9)10(11)13/h3-7,12H,1-2H3,(H2,11,13)
    • InChI Key: ITSBDRULHHXTFE-UHFFFAOYSA-N
    • SMILES: O=C(C1=CC=CC(=C1)NC(C)C)N

Computed Properties

  • Exact Mass: 178.11072
  • Monoisotopic Mass: 178.110613074g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 180
  • 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: 1.6
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • PSA: 55.12
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