Cas no 139557-63-4 (3,12-Diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane,3,12-bis(4-chloro-1-oxobutyl)-, dichloride)

3,12-Diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane,3,12-bis(4-chloro-1-oxobutyl)-, dichloride structure
139557-63-4 structure
Product Name:3,12-Diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane,3,12-bis(4-chloro-1-oxobutyl)-, dichloride
CAS No:139557-63-4
MF:C20H36Cl3N4O2
MW:470.884442329407
CID:1288912
Update Time:2024-08-03

3,12-Diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane,3,12-bis(4-chloro-1-oxobutyl)-, dichloride Chemical and Physical Properties

Names and Identifiers

    • 3,12-Diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane,3,12-bis(4-chloro-1-oxobutyl)-, dichloride
    • 3,12-Diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane, 3,12-bis(4-chloro-1-oxobutyl)-, chloride (1:2)
    • Inchi: 1S/C20H36Cl2N4O2.ClH/c21-5-1-3-19(27)23-7-11-25(12-8-23)15-17-26(18-16-25)13-9-24(10-14-26)20(28)4-2-6-22;/h1-18H2;1H/q+2;/p-1
    • InChI Key: QBJKNQTZOVZVTB-UHFFFAOYSA-M
    • SMILES: C(N1CC[N+]2(CC[N+]3(CCN(C(=O)CCCCl)CC3)CC2)CC1)(=O)CCCCl.[Cl-]

Computed Properties

  • Exact Mass: 467.8778

Experimental Properties

  • PSA: 40.62
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