Molecule ID: 17110

IUPAC Name: acetic acid;2-dodecylguanidine

Description: The molecule is an acetate salt resulting from the reaction of equimolar amounts of 1-dodecylguanidine and acetic acid. It is used as a fungicide to control black spot and foliar diseases on apples, pears, peaches, nectarines and strawberries. It has a role as an antibacterial agent and an antifungal agrochemical. It is an acetate salt and an aliphatic nitrogen antifungal agent. It contains a 1-dodecylguanidine(1+).

SMILES: CC(=O)O.CCCCCCCCCCCCNC(=N)N

SELFIES: [C][C][=Branch1][C][=O][O].[C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=N][N]

InChI: InChI=1S/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)

Molecular Properties:
- Polar Surface Area: 102.0 Ų
- LogP: nan