Cas no 16750-40-6 (3-aminobutanenitrile)

3-aminobutanenitrile structure
3-aminobutanenitrile structure
Product Name:3-aminobutanenitrile
CAS No:16750-40-6
MF:C4H8N2
MW:84.1197204589844
MDL:MFCD00047911
CID:188967
PubChem ID:123366
Update Time:2025-04-19

3-aminobutanenitrile Chemical and Physical Properties

Names and Identifiers

    • Butanenitrile, 3-amino-
    • 3-aminobutanenitrile
    • 2-Cyano-1-methylethylamine
    • 3-Aminobutyronitrile
    • b-Aminobutyronitrile
    • Butyronitrile,3-amino- (6CI,8CI)
    • SB44698
    • DTXSID40903768
    • Butyronitrile, 3-amino-
    • beta-Aminobutyronitrile
    • SY294704
    • AKOS010135585
    • (R)-3-Aminobutanenitrile
    • PPBSMPOYVPZOFM-UHFFFAOYSA-N
    • (S)-3-aminobutanenitrile,679808-74-3 - EBuyChem.com
    • 679808-74-3
    • .beta.-Aminobutyronitrile
    • MFCD12197314
    • NoName_4511
    • 16750-40-6
    • EN300-59896
    • MDL: MFCD00047911
    • Inchi: 1S/C4H8N2/c1-4(6)2-3-5/h4H,2,6H2,1H3
    • InChI Key: PPBSMPOYVPZOFM-UHFFFAOYSA-N
    • SMILES: NC(C)CC#N

Computed Properties

  • Exact Mass: 84.06884
  • Monoisotopic Mass: 84.069
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 1
  • Complexity: 68.9
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.6
  • Topological Polar Surface Area: 49.8?2

Experimental Properties

  • PSA: 49.81

3-aminobutanenitrile Pricemore >>

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