Cas no 37557-98-5 (1-Isopropyl-5-phenyl-biguanide)

1-Isopropyl-5-phenyl-biguanide structure
37557-98-5 structure
Product Name:1-Isopropyl-5-phenyl-biguanide
CAS No:37557-98-5
MF:C11H17N5
MW:219.286181211472
CID:2938719
Update Time:2023-08-10

1-Isopropyl-5-phenyl-biguanide Chemical and Physical Properties

Names and Identifiers

    • 1-isopropyl-5-phenyl-biguanide
    • 1-Isopropyl-5-phenyl-biguanide
    • Inchi: 1S/C11H17N5/c1-8(2)14-10(12)16-11(13)15-9-6-4-3-5-7-9/h3-8H,1-2H3,(H5,12,13,14,15,16)
    • InChI Key: MBJBAEJPGXZCJH-UHFFFAOYSA-N
    • SMILES: N(=C(/N)\N=C(/N)\NC1C=CC=CC=1)/C(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 264
  • XLogP3: 0.9
  • Topological Polar Surface Area: 88.8
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