Cas no 112041-05-1 (1,3-Diaminopropane-N,N’-diacetic Acid)

1,3-Diaminopropane-N,N’-diacetic Acid structure
112041-05-1 structure
Product Name:1,3-Diaminopropane-N,N’-diacetic Acid
CAS No:112041-05-1
MF:C7H14N2O4
MW:190.197062015533
MDL:MFCD00142534
CID:129507
PubChem ID:87575220
Update Time:2025-04-19

1,3-Diaminopropane-N,N’-diacetic Acid Chemical and Physical Properties

Names and Identifiers

    • Glycine,N-(3-aminopropyl)-, mono(carboxymethyl) deriv. (9CI)
    • 1,3-Diaminopropane-N,N'-diacetic Acid
    • 1,3-PROPYLENEDIAMINE-N,N'-DIACETIC ACID
    • 1,3-PROPYLENEDIAMINE-N N''-DIACETIC ACID 97+%
    • 2-[3-(carboxymethylamino)propylamino]acetic acid
    • N,N'-Trimethylenediglycine
    • NCIOpen2_002245
    • trimethylenediiminodiacetic acid
    • Glycine, N,N'-1,3-propanediylbis-
    • 1,3-Diaminopropane-N,N'-diaceticAcid
    • AK192591
    • P1115
    • 2-({3-[(carboxymethyl)amino]propyl}amino)acetic acid
    • 1,3-DIAMINOPROPANE-N,N/'-DIACETIC ACID
    • 112041-05-1
    • AKOS026671299
    • AS-63197
    • D92073
    • MFCD00142534
    • A894659
    • SCHEMBL4260452
    • 57119-37-6
    • ({3-[(CARBOXYMETHYL)AMINO]PROPYL}AMINO)ACETIC ACID
    • 1,3-Diaminopropane-N,N''-diacetic Acid
    • 2,2'-(Propane-1,3-diylbis(azanediyl))diacetic acid
    • 1,3-Diaminopropane-N,N’-diacetic Acid
    • MDL: MFCD00142534
    • Inchi: 1S/C7H14N2O4/c10-6(11)4-8-2-1-3-9-5-7(12)13/h8-9H,1-5H2,(H,10,11)(H,12,13)
    • InChI Key: RKPHYUBLENEQNT-UHFFFAOYSA-N
    • SMILES: OC(CNCCCNCC(=O)O)=O

Computed Properties

  • Exact Mass: 190.09500
  • Monoisotopic Mass: 190.09535693g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 8
  • Complexity: 154
  • 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
  • Topological Polar Surface Area: 98.7
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -5.6

Experimental Properties

  • PSA: 98.66000
  • LogP: -0.49330

1,3-Diaminopropane-N,N’-diacetic Acid Pricemore >>

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