AG003624

2494-89-5 | 2-[(P-AMINOPHENYL)SULPHONYL]ETHYL HYDROGENSULPHATE

AG003624

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CAS Number	2494-89-5
Catalog Number	AG003624(AGN-PC-0R0NU5)
Chemical Name	2-[(P-AMINOPHENYL)SULPHONYL]ETHYL HYDROGENSULPHATE
EC Number	219-669-7
IUPAC Name	2-(4-aminophenyl)sulfonylethyl hydrogen sulfate
InChI	InChI=1S/C8H11NO6S2/c9-7-1-3-8(4-2-7)16(10,11)6-5-15-17(12,13)14/h1-4H,5-6,9H2,(H,12,13,14)
InChI Key	IALORYHODRVWKZ-UHFFFAOYSA-N
MDL Number	MFCD00100131
Molecular Formula	C8H11NO6S2
Molecular Weight	281.3060
SMILES	NC1=CC=C(S(=O)(CCOS(=O)(O)=O)=O)C=C1
UNII	5R04R0T8IA
Synonyms	4-((2-sulfatoethyl)sulfonyl)aniline, p-(beta-sulphato-ethyl-sulfonyl)aniline, p-SESA, 2494-89-5, 2-[(4-aminophenyl)sulfonyl]ethyl hydrogen sulfate, 2-((4-Aminophenyl)sulfonyl)ethyl hydrogen sulfate, UNII-5R04R0T8IA, EINECS 219-669-7, 4-((2-Sulfatoethyl)sulfonyl)aniline, 5R04R0T8IA, 2-(4-aminophenyl)sulfonylethyl hydrogen sulfate, 2-((p-Aminophenyl)sulphonyl)ethyl hydrogensulphate, Ethanol, 2-sulfanilyl-, hydrogen sulfate (ester), 2-[(P-AMINOPHENYL)SULPHONYL]ETHYL HYDROGENSULPHATE, 1-SULFANILYLETHANOL HYDROGEN SULFATE, Ethanol, 2-((4-aminophenyl)sulfonyl)-, hydrogen sulfate (ester), Ethanol, 2-[(4-aminophenyl)sulfonyl]-, hydrogen sulfate (ester), Ethanol, 2-((4-aminophenyl)sulfonyl)-, 1-(hydrogen sulfate), Ethanol, 2-[(4-aminophenyl)sulfonyl]-, 1-(hydrogen sulfate), AC1Q6UEF, EC 219-669-7, AC1L2P5G, SCHEMBL314732, DTXSID0027484, CTK4F4681, ZINC1841190, MFCD00100131, STK368411, AKOS005444231, MCULE-2827062880, 2-(4-Aminophenylsulfonyl)ethanol sulfate, AJ-31773, AN-21662, AS-54446, AX8078627, LS-165837, FT-0659083, ST24038979, ST50862536, 2-[(4-aminophenyl)sulfonyl]ethyl hydroxysulfonate, 494S895, I09-1297, Ethanol,2-[(4-aminophenyl)sulfonyl]-, 1-(hydrogen sulfate), C8H11NO6S2, 2-[ sulfonyl]ethylhydrogensulfate, 4-(Ethylsulfurate sulfonyl)aniline, CID75615, 2-Sulfanilylethanol Hydrogen Sulfate, C8-H11-N-O6-S2, AR-1D5821, (2-((4-Aminobenzene)sulfonyl)ethoxy)sulfonic acid, 25462-14-0,

Complexity	424
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	281.003g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	281.297g/mol
Monoisotopic Mass	281.003g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	141A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H318
Packing Group	Ⅲ
Precautionary statements	P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501
UN Code	UN 3261

Certificate of Analysis

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