Cas no 771582-11-7 (1H-Pyrrole-2-carboxaldehyde,1-(3-aminopropyl)-)

1H-Pyrrole-2-carboxaldehyde,1-(3-aminopropyl)- structure
771582-11-7 structure
Product Name:1H-Pyrrole-2-carboxaldehyde,1-(3-aminopropyl)-
CAS No:771582-11-7
MF:C8H12N2O
MW:152.193681716919
CID:551710
PubChem ID:45083735
Update Time:2025-04-19

1H-Pyrrole-2-carboxaldehyde,1-(3-aminopropyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrole-2-carboxaldehyde,1-(3-aminopropyl)-
    • 1H-Pyrrole-2-carboxaldehyde, 1-(3-aminopropyl)- (9CI)
    • 1H-Pyrrole-2-carboxaldehyde,1-(3-aminopropyl)-(9ci)
    • 771582-11-7
    • AKOS006292540
    • 1-(3-Aminopropyl)-1H-pyrrole-2-carbaldehyde
    • Inchi: 1S/C8H12N2O/c9-4-2-6-10-5-1-3-8(10)7-11/h1,3,5,7H,2,4,6,9H2
    • InChI Key: YNLXTQOLIVTGAN-UHFFFAOYSA-N
    • SMILES: O=CC1=CC=CN1CCCN

Computed Properties

  • Exact Mass: 152.095
  • Monoisotopic Mass: 152.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 127
  • 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: 48A^2
  • XLogP3: -0.2
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