Cas no 62842-31-3 (Acetonitrile, [methyl(1-methylethyl)amino]-)

Acetonitrile, [methyl(1-methylethyl)amino]- structure
62842-31-3 structure
Product Name:Acetonitrile, [methyl(1-methylethyl)amino]-
CAS No:62842-31-3
MF:C6H12N2
MW:112.172881126404
CID:430024
PubChem ID:10534635
Update Time:2025-08-03

Acetonitrile, [methyl(1-methylethyl)amino]- Chemical and Physical Properties

Names and Identifiers

    • Acetonitrile, [methyl(1-methylethyl)amino]-
    • 2-[methyl(propan-2-yl)amino]acetonitrile
    • 2-(Isopropyl(methyl)amino)acetonitrile
    • DTXSID70441300
    • 62842-31-3
    • AKOS000177748
    • SCHEMBL5984205
    • Inchi: 1S/C6H12N2/c1-6(2)8(3)5-4-7/h6H,5H2,1-3H3
    • InChI Key: OKVCJTAEKCLWKS-UHFFFAOYSA-N
    • SMILES: N(C)(CC#N)C(C)C

Computed Properties

  • Exact Mass: 112.10016
  • Monoisotopic Mass: 112.100048391g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 98.3
  • 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: 0.9
  • Topological Polar Surface Area: 27?2

Experimental Properties

  • PSA: 27.03

Acetonitrile, [methyl(1-methylethyl)amino]- Pricemore >>

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