Cas no 54941-46-7 (2-Amino-4-(carboxymethyl)toluene)

2-Amino-4-(carboxymethyl)toluene structure
54941-46-7 structure
Product Name:2-Amino-4-(carboxymethyl)toluene
CAS No:54941-46-7
MF:C9H11NO2
MW:165.189142465591
MDL:MFCD16606084
CID:1591183
PubChem ID:21072868
Update Time:2025-04-21

2-Amino-4-(carboxymethyl)toluene Chemical and Physical Properties

Names and Identifiers

    • (3-amino-4-methylphenyl)acetic acid
    • LogP
    • 2-(3-amino-4-methylphenyl)acetic acid
    • 3-AMINO-4-METHYLPHENYLACETIC ACID
    • SCHEMBL1492449
    • EN300-250678
    • SB76727
    • CS-0370471
    • DTXSID20610524
    • 2-(3-amino-4-methylphenyl)aceticacid
    • 54941-46-7
    • 2-Amino-4-(carboxymethyl)toluene
    • MDL: MFCD16606084
    • Inchi: 1S/C9H11NO2/c1-6-2-3-7(4-8(6)10)5-9(11)12/h2-4H,5,10H2,1H3,(H,11,12)
    • InChI Key: FLLXYLUUMOMPQI-UHFFFAOYSA-N
    • SMILES: OC(CC1C=CC(C)=C(C=1)N)=O

Computed Properties

  • Exact Mass: 165.07903
  • Monoisotopic Mass: 165.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 170
  • 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: 0.9
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • Density: 1.219
  • Boiling Point: 353.8°C at 760 mmHg
  • Flash Point: 167.8°C
  • Refractive Index: 1.601
  • PSA: 63.32

2-Amino-4-(carboxymethyl)toluene Pricemore >>

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