Cas no 62221-26-5 (1,2-Propanediol, 3,3'-[(3-aminopropyl)imino]bis-)

1,2-Propanediol, 3,3'-[(3-aminopropyl)imino]bis- structure
62221-26-5 structure
Product Name:1,2-Propanediol, 3,3'-[(3-aminopropyl)imino]bis-
CAS No:62221-26-5
MF:C9H22N2O4
MW:222.281982898712
CID:453856
PubChem ID:23467798
Update Time:2025-04-19

1,2-Propanediol, 3,3'-[(3-aminopropyl)imino]bis- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Propanediol, 3,3'-[(3-aminopropyl)imino]bis-
    • 3-[3-aminopropyl(2,3-dihydroxypropyl)amino]propane-1,2-diol
    • DTXSID90634434
    • 62221-26-5
    • 3,3'-[(3-Aminopropyl)azanediyl]di(propane-1,2-diol)
    • SCHEMBL11392331
    • VVUIJPBNLMERQV-UHFFFAOYSA-N
    • N,N-Di-(2,3-dihydroxypropyl)trimethylenediamine
    • Inchi: 1S/C9H22N2O4/c10-2-1-3-11(4-8(14)6-12)5-9(15)7-13/h8-9,12-15H,1-7,10H2
    • InChI Key: VVUIJPBNLMERQV-UHFFFAOYSA-N
    • SMILES: OC(CO)CN(CCCN)CC(CO)O

Computed Properties

  • Exact Mass: 222.15806
  • Monoisotopic Mass: 222.15795719g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 9
  • Complexity: 136
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2.9
  • Topological Polar Surface Area: 110?2

Experimental Properties

  • PSA: 110.18
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