Cas no 919789-50-7 (Methyl 2-[(propan-2-yl)amino]heptanoate)

Methyl 2-[(propan-2-yl)amino]heptanoate structure
919789-50-7 structure
Product Name:Methyl 2-[(propan-2-yl)amino]heptanoate
CAS No:919789-50-7
MF:C11H23NO2
MW:201.305823564529
CID:761025
Update Time:2023-08-03

Methyl 2-[(propan-2-yl)amino]heptanoate Chemical and Physical Properties

Names and Identifiers

    • Heptanoic acid, 2-[(1-methylethyl)amino]-, methyl ester
    • methyl 2-(propan-2-ylamino)heptanoate
    • Methyl 2-[(propan-2-yl)amino]heptanoate
    • Inchi: 1S/C11H23NO2/c1-5-6-7-8-10(11(13)14-4)12-9(2)3/h9-10,12H,5-8H2,1-4H3
    • InChI Key: WKRFEJVUVOOPHN-UHFFFAOYSA-N
    • SMILES: O(C)C(C(CCCCC)NC(C)C)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 8
  • Complexity: 157
  • Topological Polar Surface Area: 38.3
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