Cas no 887582-01-6 (Benzenemethanamine,2,4-dimethoxy-3-methyl-)

Benzenemethanamine,2,4-dimethoxy-3-methyl- structure
887582-01-6 structure
Product Name:Benzenemethanamine,2,4-dimethoxy-3-methyl-
CAS No:887582-01-6
MF:C10H15NO2
MW:181.231602907181
CID:713317
PubChem ID:53416168
Update Time:2023-10-31

Benzenemethanamine,2,4-dimethoxy-3-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanamine,2,4-dimethoxy-3-methyl-
    • (2,4-dimethoxy-3-methylphenyl)methanamine
    • 2,4-DIMETHOXY-3-METHYLBENZYLAMINE
    • 887582-01-6
    • DTXSID70697128
    • 1-(2,4-Dimethoxy-3-methylphenyl)methanamine
    • AKOS006285693
    • MDL: MFCD07786702
    • Inchi: 1S/C10H15NO2/c1-7-9(12-2)5-4-8(6-11)10(7)13-3/h4-5H,6,11H2,1-3H3
    • InChI Key: OPQZRWOPFHFMPU-UHFFFAOYSA-N
    • SMILES: O(C)C1C(C)=C(C=CC=1CN)OC

Computed Properties

  • Exact Mass: 181.11
  • Monoisotopic Mass: 181.11
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 152
  • 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: nothing
  • XLogP3: 1.1
  • Topological Polar Surface Area: 44.5A^2
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