Cas no 61088-45-7 (methyl 2-(aminomethyl)benzoate)

methyl 2-(aminomethyl)benzoate structure
61088-45-7 structure
Product Name:methyl 2-(aminomethyl)benzoate
CAS No:61088-45-7
MF:C9H11NO2
MW:165.189142465591
MDL:MFCD06245496
CID:492323
PubChem ID:2760944
Update Time:2025-04-19

methyl 2-(aminomethyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2-(aminomethyl)-, methyl ester
    • 2-carboMethoxybenzylaMine
    • methyl 2-(aminomethyl)benzoate
    • MDL: MFCD06245496
    • Inchi: 1S/C9H11NO2/c1-12-9(11)8-5-3-2-4-7(8)6-10/h2-5H,6,10H2,1H3
    • InChI Key: RBTRYPAYLTVGDV-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=CC=CC=1CN)=O

Computed Properties

  • Exact Mass: 165.07903
  • Monoisotopic Mass: 165.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 159
  • 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: 1.2
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • PSA: 52.32

methyl 2-(aminomethyl)benzoate Pricemore >>

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