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Home > Other Heterocycles > 1589-04-4
1589-04-4 | 3,12-Diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane, chloride (1:2)
CAS No: 1589-04-4 Catalog No: AG001R03 MDL No:
Product Description
Catalog Number:
AG001R03
Chemical Name:
3,12-Diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane, chloride (1:2)
CAS Number:
1589-04-4
Molecular Formula:
C12H26Cl2N4
Molecular Weight:
297.2676
IUPAC Name:
3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecane;dichloride
InChI:
InChI=1S/C12H26N4.2ClH/c1-5-15(6-2-13-1)9-11-16(12-10-15)7-3-14-4-8-16;;/h13-14H,1-12H2;2*1H/q+2;;/p-2
InChI Key:
RKFMMSGWQBDVFE-UHFFFAOYSA-L
SMILES:
N1CC[N+]2(CC1)CC[N+]1(CC2)CCNCC1.[Cl-].[Cl-]
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.153g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.268g/mol
Monoisotopic Mass:
296.153g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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