1,7-Bis((1-adamantyl)carbamylguanidino)-4-methyl-4-azaheptane
[CAS# 83539-21-3]

Identification

• Name: 1,7-Bis((1-adamantyl)carbamylguanidino)-4-methyl-4-azaheptane
• Synonyms: 1-(1-Adamantyl)-3-[N'-[3-[3-[[(1-Adamantylcarbamoylamino)-Amino-Methylene]Amino]Propyl-Methyl-Amino]Propyl]Carbamimidoyl]Urea; Methanesulfonic Acid; 1-(1-Adamantyl)-3-[3-[3-[[[[(1-Adamantylamino)-Oxomethyl]Amino]-Aminomethylene]Amino]Propyl-Methylamino]Propylimino-Aminomethyl]Urea; Methanesulfonic Acid; 1-(1-Adamantyl)-3-[N'-[3-[3-[[(1-Adamantylcarbamoylamino)-Amino-Methylidene]Amino]Propyl-Methyl-Amino]Propyl]Carbamimidoyl]Urea; Methanesulfonic Acid
• Molecular Formula: C₃₂H₅₇N₉O₅S
• Molecular Weight: 679.92
• CAS Registry Number: 83539-21-3
• SMILES: C[S](O)(=O)=O.C(N=C(NC(=O)NC12CC3CC(C1)CC(C2)C3)N)CCN(CCCN=C(NC(=O)NC45CC6CC(C4)CC(C5)C6)N)C
• InChI: 1S/C31H53N9O2.CH4O3S/c1-40(6-2-4-34-26(32)36-28(41)38-30-14-20-8-21(15-30)10-22(9-20)16-30)7-3-5-35-27(33)37-29(42)39-31-17-23-11-24(18-31)13-25(12-23)19-31;1-5(2,3)4/h20-25H,2-19H2,1H3,(H4,32,34,36,38,41)(H4,33,35,37,39,42);1H3,(H,2,3,4)
• InChIKey: LJDCZTFYPZNDAD-UHFFFAOYSA-N

Properties

• Boiling point: 778.4°C at 760 mmHg (Cal.)
• Flash point: 424.6°C (Cal.)