Cas no 444574-76-9 (2-(3-aminopropyl)benzonitrile)

2-(3-aminopropyl)benzonitrile structure
2-(3-aminopropyl)benzonitrile structure
Product Name:2-(3-aminopropyl)benzonitrile
CAS No:444574-76-9
MF:C10H12N2
MW:160.215682029724
CID:6466066
PubChem ID:70148627
Update Time:2024-01-06

2-(3-aminopropyl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(3-aminopropyl)benzonitrile
    • DTXSID201307213
    • 444574-76-9
    • SCHEMBL7624418
    • EN300-1838780
    • Inchi: 1S/C10H12N2/c11-7-3-6-9-4-1-2-5-10(9)8-12/h1-2,4-5H,3,6-7,11H2
    • InChI Key: HMDLVPVQYRGWFU-UHFFFAOYSA-N
    • SMILES: NCCCC1C=CC=CC=1C#N

Computed Properties

  • Exact Mass: 160.1
  • Monoisotopic Mass: 160.1
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 168
  • 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: 1.5
  • Topological Polar Surface Area: 49.8A^2

2-(3-aminopropyl)benzonitrile Pricemore >>

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