AG00374W

5098-14-6 | 2-Aminomalononitrile 4-methylbenzenesulphonate

AG00374W

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CAS Number	5098-14-6
Catalog Number	AG00374W(AGN-PC-0JSXYH)
Chemical Name	2-Aminomalononitrile 4-methylbenzenesulphonate
EC Number	225-817-1
IUPAC Name	2-aminopropanedinitrile;4-methylbenzenesulfonic acid
InChI	InChI=1S/C7H8O3S.C3H3N3/c1-6-2-4-7(5-3-6)11(8,9)10;4-1-3(6)2-5/h2-5H,1H3,(H,8,9,10);3H,6H2
InChI Key	MEUWQVWJLLBVQI-UHFFFAOYSA-N
MDL Number	MFCD00012848
Molecular Formula	C10H11N3O3S
Molecular Weight	253.2776
SMILES	Cc1ccc(cc1)S(=O)(=O)O.NC(C#N)C#N
Synonyms	5098-14-6, Aminomalononitrile p-toluenesulfonate, 2-Aminomalononitrile 4-methylbenzenesulfonate, Aminomalononitrile p-toluenesulphonate, Aminomalononitrile p-Toluenesulfonic Acid, aminomalononitrile tosylate, AMINOMALONONITRILE-P-TOLUENE SULFONATE, 2-Aminomalononitrile 4-methylbenzenesulphonate, MEUWQVWJLLBVQI-UHFFFAOYSA-N, MFCD00012848, Aminomalononitrile p-toluenesulfunic acid, AK-77681, 2-aminopropanedinitrile; 4-methylbenzene-1-sulfonic acid, EINECS 225-817-1, 2-aminomalononitrile p-toluenesulfonate, ACMC-209krb, AC1LBRL3, dicyanomethanaminium 4-methylbenzenesulfonate, AC1Q6WM9, SCHEMBL715065, AMBZ0449, Propanedinitrile, amino-, mono(4-methylbenzenesulfonate), CTK1H2826, DTXSID50198981, KS-00000FN3, STR01089, ZX-AT022332, Aminomalonitrile toluene-4-sulfonate, Aminomalononitrile-p-toluenesulfonate, ANW-31173, AKOS016007482, CS-W008782, Dicyanomethylammonium p-Toluenesulfonate, OR28794, SB18326, 2-amino-malononitrile 4-toluenesufonate, aminomalononitrile p-toluenesulfonate salt, Q490, SC-89189, SY026716, Aminomalononitrile p-toluenesulfonate, 98%, AX8113992, RT-001833, A1119, FT-0622292, 2-aminopropanedinitrile para-toluene sulfonate, Aminopropanedinitrile 4-methylbenzenesulphonate, MFCD00012848 (97%), 2-Aminomalononitrile 4-methylbenzenesulfonate #, C-49662, 2-AMINOMALONONITRILE-4-METHYLBENZENESULFONATE, 2-aminopropanedinitrile,4-methylbenzenesulfonic acid, 2-aminopropanedinitrile; 4-methylbenzenesulfonic acid, Propanedinitrile,2-amino-,4-methylbenzenesulfonate(1:1), C7H8O3S.C3H3N3, C10H11N3O3S, AR-1I4224, CID563049, ACN-029521, C7-H8-O3-S.C3-H3-N3, AMINOMALONONITRILEP-TOLUENESULFONATE, Propanedinitrile, 2-amino-, 4-methylbenzenesulfonate (1:1), 5136-47-0,

Complexity	310
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.052g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	253.276g/mol
Monoisotopic Mass	253.052g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	136A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P280
UN Code	\N

Certificate of Analysis

Lot Number