AG0002AS

1005504-62-0 | 2,4-Quinazolinediamine, 5-[[1-[(2,6-dichlorophenyl)methyl]-4-piperidinyl]methoxy]-

AG0002AS

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CAS Number	1005504-62-0
Catalog Number	AG0002AS(AGN-PC-0WCXRI)
Chemical Name	2,4-Quinazolinediamine, 5-[[1-[(2,6-dichlorophenyl)methyl]-4-piperidinyl]methoxy]-
IUPAC Name	5-[[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
InChI	InChI=1S/C21H23Cl2N5O/c22-15-3-1-4-16(23)14(15)11-28-9-7-13(8-10-28)12-29-18-6-2-5-17-19(18)20(24)27-21(25)26-17/h1-6,13H,7-12H2,(H4,24,25,26,27)
InChI Key	MNLHFGXIUJNDAF-UHFFFAOYSA-N
MDL Number	MFCD28716151
Molecular Formula	C21H23Cl2N5O
Molecular Weight	432.3462
SMILES	ClC1=C(CN2CCC(CC2)COC2=C3C(=NC(=NC3=CC=C2)N)N)C(=CC=C1)Cl
UNII	KSV93L7URW
Synonyms	5-((1-(2,6-dichlorobenzyl)piperidin-4-yl)methoxy)quinazoline-2,4-diamine, 5-((1-(2,6-dichlorobenzyl)piperidin-4-yl)methoxy)quinazoline-2,4-diamine dihydrochloride, DI57495, RG3039, 1005504-62-0, Rg3039, UNII-KSV93L7URW, RG-3039, RG3039(PF-06687859), KSV93L7URW, PF-6687859 Free, D-157495, PF-6687859, 2,4-Quinazolinediamine, 5-((1-((2,6-dichlorophenyl)methyl)-4-piperidinyl)methoxy)-, 1466525-84-7, 5-((1-(2,6-Dichlorobenzyl)piperidin-4-yl)methoxy)quinazoline-2,4-diaminedihydrochloride;5-((1-(2,6-Dichlorobenzyl)piperidin-4-yl)methoxy)quinazoline-2,4-diaminedihydrochloride, 5-[[1-[(2,6-Dichlorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine;5-[[1-[(2,6-Dichlorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine, 2,4-Quinazolinediamine, 5-[[1-[(2,6-dichlorophenyl)methyl]-4-piperidinyl]methoxy]-, D157495, D 157495, SCHEMBL2166498, CHEMBL4072132, DTXSID00143380, BCP08729, AKOS025396466, ZINC118210078, CS-6976, HY-102020, PF-0668759, J3.522.777F, PF-06687859, PF-06687859/RG-3039, 5-({1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl}methoxy)quinazoline-2,4-diamine, MNLHFGXIUJNDAF-UHFFFAOYSA-N, N/A,

Complexity	511
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	431.128g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	432.349g/mol
Monoisotopic Mass	431.128g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	90.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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