Cas no 4475-96-1 (2-amino-3-methylbutanenitrile)

2-amino-3-methylbutanenitrile structure
2-amino-3-methylbutanenitrile structure
Product Name:2-amino-3-methylbutanenitrile
CAS No:4475-96-1
MF:C5H10N2
MW:98.1463007926941
MDL:MFCD00798451
CID:329071
PubChem ID:10419137
Update Time:2023-11-27

2-amino-3-methylbutanenitrile Chemical and Physical Properties

Names and Identifiers

    • Butanenitrile,2-amino-3-methyl-
    • 2-Amino-3-methylbutyronitrile
    • 2-amino-3-methylbutanenitrile
    • 2-amino-3-methyl-butyronitrile
    • 3-Methyl-2-aminobutyronitrile
    • dl-Valin-nitril
    • valine nitrile
    • Valinonitrile
    • EN300-81019
    • AKOS009128751
    • a-aminoisovaleronitrile
    • 4475-96-1
    • CS-0273634
    • ZMMPZEFSSVTIIW-UHFFFAOYSA-N
    • MDL: MFCD00798451
    • Inchi: 1S/C5H10N2/c1-4(2)5(7)3-6/h4-5H,7H2,1-2H3
    • InChI Key: ZMMPZEFSSVTIIW-UHFFFAOYSA-N
    • SMILES: NC(C#N)C(C)C

Computed Properties

  • Exact Mass: 98.08440
  • Monoisotopic Mass: 98.084398327g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 1
  • Complexity: 87.5
  • 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: 0.4
  • Topological Polar Surface Area: 49.8?2

Experimental Properties

  • PSA: 49.81000
  • LogP: 1.19358

2-amino-3-methylbutanenitrile Pricemore >>

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