AG003IR7

22535-90-6 | 3,9-BIS[2-(3,5-DIAMINO-2,4,6-TRIAZAPHENYL)ETHYL]-2,4,8,10-TETRAOXASPIRO[5.5]UNDECANE

AG003IR7

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CAS Number	22535-90-6
Catalog Number	AG003IR7(AGN-PC-0QZ4S8)
Chemical Name	3,9-BIS[2-(3,5-DIAMINO-2,4,6-TRIAZAPHENYL)ETHYL]-2,4,8,10-TETRAOXASPIRO[5.5]UNDECANE
EC Number	245-064-2
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
MDL Number	MFCD00191395
Molecular Formula	C17H26N10O4
Molecular Weight	434.4529
SMILES	NC1=NC(CCC2OCC3(CO2)COC(CCC2=NC(N)=NC(N)=N2)OC3)=NC(N)=N1
Synonyms	22535-90-6, 3,9-Bis[2-(3,5-diamino-2,4,6-triazaphenyl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecane, CTU Guanamine, 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), 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, 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, 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, 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),

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number