Cas no 754924-38-4 (Alanine,3-[(2-methylpropyl)amino]-)

Alanine,3-[(2-methylpropyl)amino]- structure
754924-38-4 structure
Product Name:Alanine,3-[(2-methylpropyl)amino]-
CAS No:754924-38-4
MF:C7H16N2O2
MW:160.214141845703
CID:548860
Update Time:2024-03-05

Alanine,3-[(2-methylpropyl)amino]- Chemical and Physical Properties

Names and Identifiers

    • Alanine,3-[(2-methylpropyl)amino]-
    • Alanine, 3-[(2-methylpropyl)amino]- (9CI)
    • Inchi: 1S/C7H16N2O2/c1-5(2)3-9-4-6(8)7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t6-/m0/s1
    • InChI Key: LRYYZKIZKAJQCM-LURJTMIESA-N
    • SMILES: C(O)(=O)[C@H](CNCC(C)C)N

Computed Properties

  • Exact Mass: 160.12128
  • Monoisotopic Mass: 160.121
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5
  • Complexity: 126
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 75.4A^2

Experimental Properties

  • PSA: 75.35
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