AG006BSU

95689-38-6 | 2-(3-(Dimethylamino)-1-methoxyallylidene)malononitrile

AG006BSU

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CAS Number	95689-38-6
Catalog Number	AG006BSU(AGN-PC-0ALHBB)
Chemical Name	2-(3-(Dimethylamino)-1-methoxyallylidene)malononitrile
IUPAC Name	2-[(E)-3-(dimethylamino)-1-methoxyprop-2-enylidene]propanedinitrile
InChI	InChI=1S/C9H11N3O/c1-12(2)5-4-9(13-3)8(6-10)7-11/h4-5H,1-3H3/b5-4+
InChI Key	YEUYKZLMAGACBX-SNAWJCMRSA-N
MDL Number	MFCD00975440
Molecular Formula	C9H11N3O
Molecular Weight	177.2031
SMILES	N#C/C(C#N)=C(OC)/C=C/N(C)C
Synonyms	95689-38-6, 2-(3-(Dimethylamino)-1-methoxyallylidene)malononitrile, (E)-2-(3-(Dimethylamino)-1-methoxyallylidene)malononitrile, 2-[3-(dimethylamino)-1-methoxy-2-propenylidene]malononitrile, 2-[(2E)-3-(dimethylamino)-1-methoxyprop-2-en-1-ylidene]propanedinitrile, 2-(3-DIMETHYLAMINO-1-METHOXY-ALLYLIDENE)-MALONONITRILE, AC1NWQ4Z, dimethylaminomethoxypropenylidenemalononitrile, 2-[3-(Dimethylamino)-1-methoxy-2-propenylidene]-malononitrile, SCHEMBL565357, 2-[3-(dimethylamino)-1-methoxyprop-2-enylidene]propanedinitrile, 2-[(E)-3-(dimethylamino)-1-methoxyprop-2-enylidene]propanedinitrile, [(2E)-3-(Dimethylamino)-1-methoxyprop-2-en-1-ylidene]malononitrile, KM3360, MFCD00975440, SBB089273, ZINC19850953, AKOS005070049, AKOS025310059, FCH1560783, FCH3693926, FCH4488669, RP10767, AJ-75409, AN-34847, AB0145062, ST2416064, TC-129296, TR-029828, AM20120380, CS-0035857, V9636, 2K-005, 689D386, C-34816, I14-6733, J-501837, 4-Dimethylamino-2-methoxy-1,3-butadiene-1,1-dicarbonitrile, (E)-4,4-Dicyano-3-methoxy-N,N-dimethylbuta-1,3-dien-1-amine, [(1E)-4,4-dicyano-3-methoxy-buta-1,3-dienyl]-dimethyl-ammonium, 2-[3-(dimethylamino)-1-methoxyprop-2-en-1-ylidene]propanedinitrile, 2-[(E)-3-(dimethylamino)-1-methoxy-prop-2-enylidene]propanedinitrile, [(2E)-3-(dimethylamino)-1-methoxyprop-2-enylidene]methane-1,1-dicarbonitrile, C9H11N3O, CID5710132, CS-T-17859, 1,1-Dicyano-2-methoxy-4-dimethylamino-1,3-butadiene, 2-[3- -1-METHOXY-2-PROPENYLIDENE]MALONONITRILE, 2-(3-dimethylamino-1-methoxy-prop-2-enylidene)propanedinitrile,

Complexity	303
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	177.09g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	177.207g/mol
Monoisotopic Mass	177.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	60A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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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