AG008RE3

105637-50-1 | ML-9 hydrochloride

AG008RE3

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CAS Number	105637-50-1
Catalog Number	AG008RE3(AGN-PC-0JLG3W)
Chemical Name	ML-9 hydrochloride
IUPAC Name	1-(5-chloronaphthalen-1-yl)sulfonyl-1,4-diazepane;hydrochloride
InChI	InChI=1S/C15H17ClN2O2S.ClH/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18;/h1-2,4-7,17H,3,8-11H2;1H
InChI Key	ZNRYCIVTNLZOGI-UHFFFAOYSA-N
MDL Number	MFCD00065525
Molecular Formula	C15H18Cl2N2O2S
Molecular Weight	361.2866
NSC Number	734549
SMILES	O=S(N1CCNCCC1)(C2=C3C=CC=C(Cl)C3=CC=C2)=O.[H]Cl
UNII	BZ2L6JK93I
Synonyms	1-(5-chloronaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine, ML 9, ML-9, ML-9, 105637-50-1, ML 9 hydrochloride, ML 9, UNII-BZ2L6JK93I, ML-9 hydrochloride, ML-9, Hydrochloride, 1-(5-Chloronaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine HCl, BZ2L6JK93I, 1-((5-Chloronaphthalen-1-yl)sulfonyl)-1,4-diazepane hydrochloride, MFCD00065525, 1-(5-Chloronaphthalenesulfonyl)homopiperazine hydrochloride, 1-(5-chloronaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine, 1-(5-Chloronaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride, 1-(5-Chloronaphthalene-1-sulfonyl)homopiperazine, HCl, 1-(5-chloronaphthalen-1-ylsulfonyl)-1,4-diazepane hydrochloride, 1-(5-Chloronaphthalenesulphonyl)-1H-hexahydro-1,4-diazepine hydrochloride [ML-9], 1H-1,4-Diazepine, 1-((5-chloro-1-naphthalenyl)sulfonyl)hexahydro-, monohydrochloride, SR-01000075741, C15H17ClN2O2S.HCl, BMK1-E7, AC1L338K, SCHEMBL1848494, CHEMBL1257075, CTK8E8325, DTXSID60147228, OR7351T, ZX-AT008912, Tox21_500209, IN1221, NSC734549, AKOS022180145, ML-9, >=99% (TLC), powder, CCG-221513, LP00209, NSC-734549, VZ20991, NCGC00093681-01, NCGC00260894-01, CC-02396, LS-171976, RT-013917, B6300, EU-0100209, FT-0642604, C 1172, K00008, C-20914, J-001466, SR-01000075741-1, SR-01000075741-3, 1-(5-CHLORONAPHTHALENE-SULFONYL)HOMOPIPERAZINE, 1-(5-chloronaphthalenesulfonyl)homo piperazine hydrochloride, ML-9; 1-(5-Chloronaphthalene-1-sulfonyl)homopiperazine, HCl, 1-(5-chloronaphthalen-1-yl)sulfonyl-1,4-diazepane hydrochloride, 1H-1,4-Diazepine,1-[(5-chloro-1-naphthalenyl)sulfonyl]hexahydro-, hydrochloride (1:1), C15H17ClN2O2S.ClH, CID108047, C15-H17-Cl-N2-O2S.Cl-H, C056218, 1-(5-Chloronaphthalenesulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride,

Complexity	451
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	360.047g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	361.281g/mol
Monoisotopic Mass	360.047g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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