AG003IKL

32432-55-6 | 3,5-Diamino-2,4,6-trimethylbenzenesulfonic Acid

AG003IKL

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CAS Number	32432-55-6
Catalog Number	AG003IKL(AGN-PC-0JM0OH)
Chemical Name	3,5-Diamino-2,4,6-trimethylbenzenesulfonic Acid
EC Number	251-039-7
IUPAC Name	3,5-diamino-2,4,6-trimethylbenzenesulfonic acid
InChI	InChI=1S/C9H14N2O3S/c1-4-7(10)5(2)9(15(12,13)14)6(3)8(4)11/h10-11H2,1-3H3,(H,12,13,14)
InChI Key	PKKGGWLTUCMSSD-UHFFFAOYSA-N
MDL Number	MFCD00043827
Molecular Formula	C9H14N2O3S
Molecular Weight	230.2841
SMILES	O=S(C1=C(C)C(N)=C(C)C(N)=C1C)(O)=O
Synonyms	3,5-Diamino-2,4,6-trimethylbenzenesulfonic acid, 32432-55-6, Diaminomesitylenesulfonic acid, Benzenesulfonic acid, 3,5-diamino-2,4,6-trimethyl-, EINECS 251-039-7, BRN 3323474, 2,4-Diamino-6-sulfomesitylene, 3,5-Diamino-2,4,6-trimethylbenzenesulphonic acid, 2,4,6-Trimethyl-3,5-diaminobenzenesulfonic Acid, W-106840, ACMC-209ht1, AC1Q6WF0, 2-14-00-00453 (Beilstein Handbook Reference), AC1L3S79, SCHEMBL1271356, Jsp005990, DTXSID5067681, CTK4G8686, ACT07528, ZINC2584545, ANW-27347, MFCD00043827, AKOS015960610, 2,6-Diaminomesitylene-4-sulfonic Acid, ACM32432556, KS-0000171A, AJ-43459, CC-13407, LS-31851, AX8011393, DB-048212, TC-116092, C.I. 11727, D2709, FT-0639022, ST24028203, ST50825810, 3,5-Diamino-2,4,6-trimethylbenzenesulfonicAcid, 432D556, C-13371, Benzenesulfonic acid,3,5-diamino-2,4,6-trimethyl-, 3,5-Diamino-2,4,6-trimethylbenzenesulfonic acid, AldrichCPR, C9H14N2O3S, CID94430, C9-H14-N2-O3-S, AR-1E9492, N-(4-Chloro-2-methylphenyl)-2-[(4-chloro-2-nitrophenyl)azo]-3-oxobutanamide, 3336-26-3,

Complexity	309
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.073g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	230.282g/mol
Monoisotopic Mass	230.073g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	115A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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