Instillagel
[CAS# 8060-72-8]

Identification

• Name: Instillagel
• Synonyms: (1E)-2-[6-[[Amino-[[Amino-[(4-Chlorophenyl)Amino]Methylene]Amino]Methylene]Amino]Hexyl]-1-[Amino-[(4-Chlorophenyl)Amino]Methylene]Guanidine; 2-Diethylamino-N-(2,6-Dimethylphenyl)Acetamide; (2R,3S,4R,5R)-2,3,4,5,6-Pentahydroxyhexanoic Acid; Hydrochloride; (1E)-2-[6-[[Amino-[[Amino-[(4-Chlorophenyl)Amino]Methylidene]Amino]Methylidene]Amino]Hexyl]-1-[Amino-[(4-Chlorophenyl)Amino]Methylidene]Guanidine; 2-Diethylamino-N-(2,6-Dimethylphenyl)Ethanamide
• Molecular Formula: C₄₈H₇₇Cl₃N₁₂O₁₅
• Molecular Weight: 1168.57
• CAS Registry Number: 8060-72-8
• SMILES: [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.[H+].C2=C(NC(=NC(=NCCCCCCN=C(N)N=C(NC1=CC=C(Cl)C=C1)N)N)N)C=CC(=C2)Cl.[Cl-].C(N(CC)CC)C(=O)NC3=C(C=CC=C3C)C
• InChI: 1S/C22H30Cl2N10.C14H22N2O.2C6H12O7.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;1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);7-9H,5-6,10H2,1-4H3,(H,15,17);2*2-5,7-11H,1H2,(H,12,13);1H/t;;2*2-,3-,4+,5-;/m..11./s1
• InChIKey: YQMHOGGOFBFXQZ-ADZFUJRMSA-N

Properties

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