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22535-90-6,MFCD00191395
Catalog No.:AA003IOF
22535-90-6 | 3,9-Bis[2-(3,5-diamino-2,4,6-triazaphenyl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecane
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Technical Information
Catalog Number:
AA003IOF
Chemical Name:
3,9-Bis[2-(3,5-diamino-2,4,6-triazaphenyl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecane
CAS Number:
22535-90-6
Molecular Formula:
C17H26N10O4
Molecular Weight:
434.4529
MDL Number:
MFCD00191395
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
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
SMILES:
Nc1nc(CCC2OCC3(CO2)COC(OC3)CCc2nc(N)nc(n2)N)nc(n1)N
EC Number:
245-064-2
Properties
Computed Properties
 
Complexity:
490  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.214g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
434.461g/mol
Monoisotopic Mass:
434.214g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
218A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  

Synonyms
 
22535-90-6 
3,9-Bis[2-(3,5-diamino-2,4,6-triazaphenyl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecane 
SCHEMBL444950 
CTK4E9669 
DTXSID50177054 
ZINC2556809 
ANW-24908 
MFCD00191395 
AKOS015854663 
6,6'-(2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diyldiethane-2,1-diyl)bis(1,3,5-triazine-2,4-diamine) 
TR-010609 
A4883 
CTU Guanamine 
KS-00001250 
I14-92819 
1,3,5-Triazine-2,4-diamine,6,6'-(2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diyldi-2,1-ethanediyl)bis- 
6,6'-(2,2'-(2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diyl)bis(ethane-2,1-diyl))bis(1,3,5-triazine-2,4-diamine) 
6-[2-[9-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]ethyl]-1,3,5-triazine-2,4-diamine 
CTUGuanamine 
2-Chloro-4-nitropyridine 
C17H26N10O4 
CID89744 
AR-1H0186 
6,6'-(2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-diylbis(ethane-2,1-diyl))bis(1,3,5-triazine-2,4-diamine) 
C17-H26-N10-O4 
B1724 
3,9-BIS[2- ETHYL]-2,4,8,10-TETRAOXASPIRO[5.5]UNDECANE 
23056-36-2 
1,3,5-Triazine-2,4-diamine, 6,6'-(2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diyldi-2,1-ethanediyl)bis- 
6,6'-(2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diyldiethylene)bis(1,3,5-triazine--2,4-diamine) 
6,6'-(2,4,8,10-Tetraoxaspiro(5.5)undecane-3,9-diyldiethylene)bis(1,3,5-triazine 2,4-diamine) 
EINECS 245-064-2 
ACMC-209fxa 
CTU-G 
AC1L3IIO 
AC1Q6ZMB 
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