AG00ACX5

1715-30-6 | N,N''-bis(2-ethylhexyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediamidine dihydrochloride

AG00ACX5

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CAS Number	1715-30-6
Catalog Number	AG00ACX5(AGN-PC-0Q9WBY)
Chemical Name	N,N''-bis(2-ethylhexyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediamidine dihydrochloride
EC Number	216-994-6
IUPAC Name	1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine;dihydrochloride
InChI	InChI=1S/C26H56N10.2ClH/c1-5-9-15-21(7-3)19-33-25(29)35-23(27)31-17-13-11-12-14-18-32-24(28)36-26(30)34-20-22(8-4)16-10-6-2;;/h21-22H,5-20H2,1-4H3,(H5,27,29,31,33,35)(H5,28,30,32,34,36);2*1H
InChI Key	BRJJFBHTDVWTCJ-UHFFFAOYSA-N
MDL Number	MFCD00082369
Molecular Formula	C26H58Cl2N10
Molecular Weight	581.7117
SMILES	Cl.Cl.C(C)C(CNC(NC(NCCCCCCNC(NC(N)=N)=N)=N)=NCC(CCCC)CC)CCCC
Synonyms	Alexidine dihydrochloride, 1715-30-6, Alexidine HCl, ALEXIDINE HYDROCHLORIDE, MFCD00082369, NCGC00094996-01, 1,1'-Hexamethylenebis(5-(2-ethylhex-1-yl))biguanide dihydrochloride, DSSTox_CID_25881, DSSTox_RID_81197, N,N''-Bis(2-ethylhexyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediamidine dihydrochloride, DSSTox_GSID_45881, 2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(2-ethylhexyl)-3,12-diimino-, dihydrochloride, 2,4,11,13-Tetraazatetradecanediimidamide, N1,N14-bis(2-ethylhexyl)-3,12-diimino-, hydrochloride (1:2), 1,1'-Hexamethylenebis[5-(2-ethylhexyl)]biguanide dihydrochloride, Prestwick_42, N,N''-Bis(2-ethylhexyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide dihydrochloride, CAS-1715-30-6, SR-01000838863, 1,1'-Hexamethylene-bis(5-[2-ethylhexyl]biguanide), C26H56N10.2ClH, 1,1'-Hexamethylenebis[5-(2-ethylhex-1-yl)]biguanide dihydrochloride, EINECS 216-994-6, Alexidine.dihydrochloride, AC1L2TBH, AC1Q3AMY, SCHEMBL292713, SPECTRUM1503074, BIMI8260, CHEMBL554041, DTXSID5045881, CTK8F7635, ZX-AFC001164, HMS1570K16, HMS1922C13, ZX-AT005188, Tox21_111380, 2202AH, CCG-39767, OR2503, AKOS024258863, Tox21_111380_1, API0001403, ACM22573939, n,n''''-hexane-1,6-diylbis[n'-(2-ethylhexyl)(imidodicarbonimidic diamide)] dihydrochloride, NCGC00094996-02, NCGC00178352-06, Alexidine dihydrochloride, >=95% (HPLC), FT-0661484, SW196358-4, J-010730, SR-01000838863-2, SR-01000838863-3, 1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine dihydrochloride, alexidine, Alexidinum, Alexidina, Compound 904, alexidine,dihydrochloride, Alexidine [USAN:INN], Alexidinum [INN-Latin], UNII-GVN71CAL3G, Alexidina [INN-Spanish], UNII-I2A7616PY1, ALEXIDINEDIHYDROCHLORIDE, Win 21,904, Win 21-904, I2A7616PY1, EINECS 245-096-7, AR-1K2726, C26-H56-N10.2Cl-H, C26H56N10, CID102678, C26-H56-N10, 22573-93-9, 1,1'-Hexamethylenebis(5-(2-ethylhexyl)biguanide), Biguanide, 1,1'-hexamethylenebis[5-(2-ethylhexyl)-, 2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(2-ethylhexyl)-3,12-diimino-, N,N?-Bis(2-ethylhexyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide, 14269-74-0,

Complexity	601
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	580.422g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	8
Isotope Atom Count	0
Molecular Weight	581.72g/mol
Monoisotopic Mass	580.422g/mol
Rotatable Bond Count	23
Topological Polar Surface Area	178A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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