AG008TNS

102852-92-6 | 1,3,5-TRIS(4-AMINOPHENOXY)BENZENE (135TAPOB)

AG008TNS

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CAS Number	102852-92-6
Catalog Number	AG008TNS(AGN-PC-0379CY)
Chemical Name	1,3,5-TRIS(4-AMINOPHENOXY)BENZENE (135TAPOB)
IUPAC Name	4-[3,5-bis(4-aminophenoxy)phenoxy]aniline
InChI	InChI=1S/C24H21N3O3/c25-16-1-7-19(8-2-16)28-22-13-23(29-20-9-3-17(26)4-10-20)15-24(14-22)30-21-11-5-18(27)6-12-21/h1-15H,25-27H2
InChI Key	PAPDRIKTCIYHFI-UHFFFAOYSA-N
MDL Number	MFCD09908237
Molecular Formula	C24H21N3O3
Molecular Weight	399.4418
SMILES	NC1=CC=C(OC2=CC(OC3=CC=C(C=C3)N)=CC(OC4=CC=C(C=C4)N)=C2)C=C1
Synonyms	1,3,5-TRIS(4-AMINOPHENOXY)BENZENE, 102852-92-6, 4,4',4''-(Benzene-1,3,5-triyltris(oxy))trianiline, SCHEMBL30063, CTK8E3116, PAPDRIKTCIYHFI-UHFFFAOYSA-N, 1,3,5-tri(4-aminophenoxy)benzene, CS-D0507, MFCD09908237, ZINC67176068, TX-011497, J-000822, 1,3,5-TRIS(4-AMINOPHENOXY)BENZENE (135TAPOB), Benzenamine, 4,4',4''-[1,3,5-benzenetriyltris(oxy)]tris-,

Complexity	415
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	399.158g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	399.45g/mol
Monoisotopic Mass	399.158g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	106A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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