AG002CSL

200484-11-3 | Guanidine, N-[6-(4-chlorophenoxy)hexyl]-N'-cyano-N''-4-pyridinyl-

AG002CSL

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CAS Number	200484-11-3
Catalog Number	AG002CSL(AGN-PC-00A8K7)
Chemical Name	Guanidine, N-[6-(4-chlorophenoxy)hexyl]-N'-cyano-N''-4-pyridinyl-
IUPAC Name	2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine
InChI	InChI=1S/C19H22ClN5O/c20-16-5-7-18(8-6-16)26-14-4-2-1-3-11-23-19(24-15-21)25-17-9-12-22-13-10-17/h5-10,12-13H,1-4,11,14H2,(H2,22,23,24,25)
InChI Key	BOIPLTNGIAPDBY-UHFFFAOYSA-N
MDL Number	MFCD03700766
Molecular Formula	C19H22ClN5O
Molecular Weight	371.8639
SMILES	N#CN/C(NCCCCCCOC1=CC=C(Cl)C=C1)=NC2=CC=NC=C2
UNII	8LAP87DNSZ
Synonyms	CHS 828, CHS-828, GMX 1778, GMX-1778, GMX1778, N-(6-chlorophenoxyhexyl)-N''-cyano-N''-4-pyridylguanidine, 200484-11-3, CHS-828, GMX1778, CHS 828, CHS828, UNII-8LAP87DNSZ, GMX1778(CHS-828), GMX1778 (CHS828), 8LAP87DNSZ, CHEMBL17289, Guanidine, N-[6-(4-chlorophenoxy)hexyl]-N'-cyano-N''-4-pyridinyl-, 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine, N-Cyano-N'-(6-(p-chlorophenoxy)hexyl)-N"-(4-pyridyl)guanidine, GMX 1778, Guanidine, N-(6-(4-chlorophenoxy)hexyl)-N'-cyano-N''-4-pyridinyl-, AC1L3WMZ, gmx1778-chs828, SCHEMBL504150, SCHEMBL12083293, SCHEMBL16312347, BDBM81396, CHEBI:95016, KS-00001CPH, EX-A713, BOIPLTNGIAPDBY-UHFFFAOYSA-N, BCP15158, N-(6-(4-Chlorophenoxy)hexyl)-N'-cyano-N''-4-pyridinylguanidine, 3544AH, BDBM50435350, MFCD03700766, s8117, ZINC13282570, AKOS026674121, AKOS026750302, AKOS028109359, AKOS032960393, CS-3852, DB12980, NCGC00345782-01, AK198948, HY-10079, LS-73363, FT-0700257, A12515, J-012977, BRD-K47335880-001-01-3, 1-[6-(4-Chlorophenoxy)hexyl]-3-cyano-2-pyridin-4-ylguanidine, 1-(6-(4-chlorophenoxy)hexyl)-2-cyano-3-(pyridin-4-yl)guanidine, N-(6-(4-chlorophenoxy)-hexyl)-N'-cyano-N''-(4-pyridyl)-guanidine, N-(6-(4-chlorophenoxy)hexyl)-N'-cyano-N''-4-pyridyl guanidine, D0Y1NC, C19H22ClN5O, Cancer therapeutics, LEO Pharma, GMX-1778, C19-H22-Cl-N5-O, CID148198, C401312, n-(6-chlorophenoxyhexyl)-n''-cyano-n''-4-pyridylguanidine,

Complexity	450
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	371.151g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	371.869g/mol
Monoisotopic Mass	371.151g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	82.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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