AG00I76J

3625-57-8 | 5-Amino-9-(diethylamino)benzo[a]phenoxazinium sulfate

AG00I76J

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CAS Number	3625-57-8
Catalog Number	AG00I76J(AGN-PC-0O9BYD)
Chemical Name	5-Amino-9-(diethylamino)benzo[a]phenoxazinium sulfate
EC Number	222-832-5
IUPAC Name	(5-aminobenzo[a]phenoxazin-9-ylidene)-diethylazanium;sulfate
InChI	InChI=1S/2C20H19N3O.H2O4S/c2*1-3-23(4-2)13-9-10-17-18(11-13)24-19-12-16(21)14-7-5-6-8-15(14)20(19)22-17;1-5(2,3)4/h2*5-12,21H,3-4H2,1-2H3;(H2,1,2,3,4)
InChI Key	QIRDPEPUXNCOLD-UHFFFAOYSA-N
MDL Number	MFCD00064529
Molecular Formula	C40H40N6O6S
Molecular Weight	732.8472
SMILES	CCN(C1=CC2=[O+]C3=C(C4=CC=CC=C4C(N)=C3)N=C2C=C1)CC.CCN(C5=CC6=[O+]C7=C(C8=CC=CC=C8C(N)=C7)N=C6C=C5)CC.O=S([O-])([O-])=O
Synonyms	Cresyl Fast Violet, Nile Blue, nile blue A perchlorate, Nile Blue perchlorate, nile blue sulfate, Nile Blue tetrafluoroborate, Nile Blue sulfate, 3625-57-8, Nile Blue A, Nile Blue A sulfate, NSC 3250, EINECS 222-832-5, MFCD00064529, NSC 34914, Nile blue, 5H-Benzo(a)phenazoxazine, 9-(diethylamino)-5-imino-, sulfate (2:1), Benzo[a]phenoxazin-7-ium, 5-amino-9-(diethylamino)-, sulfate (2:1), Nile Blue A, pure, certified, Bis(5-amino-9-(diethylamino)benzo(a)phenoxazin-7-ium) sulphate, BENZO(a)PHENOXAZIN-7-IUM, 5-AMINO-9-(DIETHYLAMINO)-, SULFATE (2:1), AC1L2DRT, SCHEMBL4051129, KS-00000YCR, 2C20H20N3O.SO4, 5099AF, Nile Blue A (C.I. 51180), SBB057664, Nile Blue A, Dye content >=75 %, AKOS024370855, AKOS027251080, MCULE-5118186891, AK187115, LS-38960, ST51006776, Nile Blue A, certified by the Biological Stain Commission, [9-(diethylamino)benzo[a]phenoxazin-5-ylidene]azanium sulfate, bis(12-amino-N,N-diethyl-10-oxa-5-azatetraphen-8-iminium) sulfate, Basic Blue 12, CID19256, C20H20N3O.1/2O4S, C40-H40-N6-O2.O4-S, C.I. 51180, Nile Blue Sulphate C. I. No. 51180 for microscopy 10gm, Bis[5-amino-9-(diethylamino)benzo[a]phenoxazin-7-ium] sulphate,

Complexity	687
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	732.273g/mol
Formal Charge	0
Heavy Atom Count	53
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	732.856g/mol
Monoisotopic Mass	732.273g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	190A^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-P305+P351+P338
UN Code

Certificate of Analysis

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