Lurgyl
[CAS# 82432-17-5]

Identification

• Name: Lurgyl
• Synonyms: Aluminum; (1E)-2-[6-[[Amino-[[Amino-[(4-Chlorophenyl)Amino]Methylene]Amino]Methylene]Amino]Hexyl]-1-[Amino-[(4-Chlorophenyl)Amino]Methylene]Guanidine; 2-Hydroxypropanoate; (2R,3S,4R,5R)-2,3,4,5,6-Pentahydroxyhexanoic Acid; N-Tetralin-5-Yl-4,5-Dihydro-1H-Imidazol-2-Amine; Hydrochloride
• Molecular Formula: C₅₆H₈₇AlCl₃N₁₃O₂₃
• Molecular Weight: 1443.72
• CAS Registry Number: 82432-17-5
• SMILES: [Al+3].N(C1=CC=CC2=C1CCCC2)C3=NCCN3.[C@H](O)([C@H](O)[C@@H](O)C(O)=O)[C@H](O)CO.[C@H](O)([C@H](O)[C@@H](O)C(O)=O)[C@H](O)CO.C(O)(C)C([O-])=O.C(O)(C)C([O-])=O.[H+].C5=C(NC(=NC(=NCCCCCCN=C(N)N=C(NC4=CC=C(Cl)C=C4)N)N)N)C=CC(=C5)Cl.[Cl-].[O-]C(=O)C(O)C
• InChI: 1S/C22H30Cl2N10.C13H17N3.2C6H12O7.3C3H6O3.Al.ClH/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13;2*7-1-2(8)3(9)4(10)5(11)6(12)13;3*1-2(4)3(5)6;;/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);3,5,7H,1-2,4,6,8-9H2,(H2,14,15,16);2*2-5,7-11H,1H2,(H,12,13);3*2,4H,1H3,(H,5,6);;1H/q;;;;;;;+3;/p-3/t;;2*2-,3-,4+,5-;;;;;/m..11...../s1
• InChIKey: GLHBPMQTYZMCTD-ZQNVXQGISA-K

Properties

• Boiling point: 699.3°C at 760 mmHg (Cal.)
• Flash point: 376.7°C (Cal.)