AG002XKJ

291756-76-8 | (Z)-N-[2-Chloro-3-(dimethylamino)allylidene]-N-methylmethanaminium Hexafluorophosphate

AG002XKJ

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CAS Number	291756-76-8
Catalog Number	AG002XKJ(AGN-PC-0R4WKC)
Chemical Name	(Z)-N-[2-Chloro-3-(dimethylamino)allylidene]-N-methylmethanaminium Hexafluorophosphate
EC Number	619-785-1
IUPAC Name	[(Z)-2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium;hexafluorophosphate
InChI	InChI=1S/C7H14ClN2.F6P/c1-9(2)5-7(8)6-10(3)4;1-7(2,3,4,5)6/h5-6H,1-4H3;/q+1;-1
InChI Key	PIUHAULDXSPPQV-UHFFFAOYSA-N
MDL Number	MFCD08458255
Molecular Formula	C7H14ClF6N2P
Molecular Weight	306.6166
SMILES	C[N+](C)=C/C(Cl)=C/N(C)C.F[P-](F)(F)(F)(F)F
UNII	X3ESZ1676P
Synonyms	249561-98-6, 291756-76-8, 2-Chloro-1,3-bis(dimethylamino)trimethinium hexafluorophosphate, 2-Chloro-1,3-bis(dimentylamino)trimethinium hexafluorophosphate, N-(2-Chloro-3-(dimethylamino)allylidene)-N-methylmethanaminium hexafluorophosphate(V), UNII-X3ESZ1676P, (Z)-N-(2-CHLORO-3-(DIMETHYLAMINO)ALLYLIDENE)-N-METHYLMETHANAMINIUM HEXAFLUOROPHOSPHATE(V), X3ESZ1676P, 2-Propen-1-aminium, 2-chloro-3-(dimethylamino)-N,N-dimethyl-, (2Z)-, hexafluorophosphate(1-) (1:1), MFCD08458255, Etoricoxib related compound C, 2-CHLORO-1,3-DIMETHYLAMINO TRIMETHINIUM HEXAFLUOROPHOSPHATE, N-[2-Chloro-3-(dimethylamino)allylidene]-N-methylmethanaminium Hexafluorophosphate(V), AK142895, C7H14ClN2.F6P, Vinamidinium hexaflurophophate, PIUHAULDXSPPQV-UHFFFAOYSA-N, BCP21161, AKOS015852446, AB45632, ACN-027569, AM86804, CS-W005317, FCH3588501, RP08908, Etoricoxib related compound C [USP-RS], AK162894, AS-18920, AB0004336, AX8072548, ST24036531, ST24048294, X3250, EN300-84491, B-9224, J-508592, 2-chloro-1,3-bis(dimethylamino)trimethinium hexaflurophosphate, 2-Chloro-1,3-bis(dimethylamino)trimethinium hexafluorophosphate, AldrichCPR, ((Z)-2-Chloro-3-dimethylamino-allylidene)-dimethyl-ammonium hexafluoro phosphate, 2-chloro-3-(dimethylamino)-N,N-dimethylprop-2-en-1-iminium hexafluorophosphate, N-(2-Chloro-3-(dimethylamino)-2-propenylidene)-N-methylmethanaminuium hexafluorophosphate, [(2Z)-2-chloro-3-(dimethylamino)prop-2-en-1-ylidene]dimethylazanium; hexafluoro-$l^{5}-phosphanuide, Methanaminium, N-((2Z)-2-chloro-3-(dimethylamino)-2-propenylidene)-N-methyl-, hexafluorophosphate(1-), Methanaminium, N-(2-chloro-3-(dimethylamino)-2-propenylidene)-N-methyl-, hexafluorophosphate(1-), N-[(2Z)-2-chloro-3-(dimethylamino)prop-2-en-1-ylidene]-N-methylmethanaminium hexafluorophosphate, ACN-041353, CID10590807, CID 10590807, EC 619-785-1, M-1250, 2-Chloro-1,bis(dma)trimethiniumhexafluorophosphate, (2Z)-2-chloro-3-(dimethylamino)-N,N-dimethylprop-2-en-1-iminium hexafluorophosphate, (Z)-N-[2-Chloro-3-(dimethylamino)allylidene]-N-methylmethanaminium Hexafluorophosphate,

Complexity	201
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	306.049g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	306.617g/mol
Monoisotopic Mass	306.049g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	6.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number