3,9-Bis[2-(3,5-diamino-2,4,6-triazaphenyl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecane

• Catalog Number: ACM-MO-22535906
• Product Name: 3,9-Bis[2-(3,5-diamino-2,4,6-triazaphenyl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecane
• CAS: 22535-90-6
• Category: Heterocyclic Organic Compound
• Synonyms: CTU Guanamine
• IUPAC Name: 6-[2-[3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-1,3,5-triazine-2,4-diamine
• Molecular Weight: 434.46 g/mol
• Molecular Formula: C17H26N10O4
• Canonical SMILES: C1C2(COC(O1)CCC3=NC(=NC(=N3)N)N)COC(OC2)CCC4=NC(=NC(=N4)N)N
• InChI: InChI=1S/C17H26N10O4/c18-13-22-9(23-14(19)26-13)1-3-11-28-5-17(6-29-11)7-30-12(31-8-17)4-2-10-24-15(20)27-16(21)25-10/h11-12H,1-8H2,(H4,18,19,22,23,26)(H4,20,21,24,25,27)
• InChI Key: DUZLHGMYNVZMCO-UHFFFAOYSA-N
• Appearance: White to Almost White Powder to Crystal
• Complexity: 490
• Covalently-Bonded Unit Count: 1
• EC Number: 245-064-2
• Exact Mass: 434.213849g/mol
• Formal Charge: 0
• H-Bond Acceptor: 14
• H-Bond Donor: 4
• Heavy Atom Count: 31
• Monoisotopic Mass: 434.213849g/mol
• Physical State: Solid
• Rotatable Bond Count: 6
• XLogP3: -1