Cas no 4414-84-0 (3-(1H-1,3-benzodiazol-1-yl)propanenitrile)

3-(1H-1,3-benzodiazol-1-yl)propanenitrile structure
4414-84-0 structure
Product Name:3-(1H-1,3-benzodiazol-1-yl)propanenitrile
CAS No:4414-84-0
MF:C10H9N3
MW:171.198561429977
MDL:MFCD00817166
CID:325367
PubChem ID:2998555
Update Time:2025-04-19

3-(1H-1,3-benzodiazol-1-yl)propanenitrile Chemical and Physical Properties

Names and Identifiers

    • 1H-Benzimidazole-1-propanenitrile
    • 3-(benzimidazol-1-yl)propanenitrile
    • 3-Benzoimidazol-1-yl-propionitrile
    • 3-(1H-1,3-benzodiazol-1-yl)propanenitrile
    • CHEMBL1711679
    • HCNGGCURDWJVBE-UHFFFAOYSA-N
    • SCHEMBL11067774
    • MFCD00817166
    • 1H-benzimidazole-1-propionitrile
    • Z53116462
    • 3-Benzoimidazol-1-ylpropionitrile
    • DTXSID00388193
    • 4414-84-0
    • F1076-0052
    • BB 0219653
    • 2-(1H-1,3-BENZIMIDAZOL-1-YL)ETHYL CYANIDE
    • 3-(1H-benzimidazol-1-yl)propanenitrile
    • Enamine_005562
    • FT-0635279
    • AKOS000206566
    • 1-METHYL-4-NITRO-1H-PYRROLE-2-CARBONYLCHLORIDE
    • HMS3309B02
    • LS-08339
    • SMR000066367
    • MLS000056745
    • 3-(1H-benzo[d]imidazol-1-yl)propanenitrile
    • HMS1409M18
    • N-(cyanoethyl)benzimidazole
    • HMS2163M17
    • EN300-05879
    • MDL: MFCD00817166
    • Inchi: 1S/C10H9N3/c11-6-3-7-13-8-12-9-4-1-2-5-10(9)13/h1-2,4-5,8H,3,7H2
    • InChI Key: HCNGGCURDWJVBE-UHFFFAOYSA-N
    • SMILES: N1(C=NC2C=CC=CC1=2)CCC#N

Computed Properties

  • Exact Mass: 171.07977
  • Monoisotopic Mass: 171.08
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 218
  • 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: 1.1
  • Topological Polar Surface Area: 41.6?2

Experimental Properties

  • Density: 1.15
  • Boiling Point: 380.9°Cat760mmHg
  • Flash Point: 184.2°C
  • Refractive Index: 1.622
  • PSA: 41.61

3-(1H-1,3-benzodiazol-1-yl)propanenitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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€195.40 2023-02-03
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AB384695-1 g
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AB384695-10 g
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