AG001QRB

158690-56-3 | Carbamic acid, N-​[2-​[[(4-​methylphenyl)​sulfonyl]​oxy]​ethyl]​-​, 1,​1-​dimethylethyl ester

AG001QRB

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CAS Number	158690-56-3
Catalog Number	AG001QRB(AGN-PC-0Q7JEL)
Chemical Name	Carbamic acid, N-​[2-​[[(4-​methylphenyl)​sulfonyl]​oxy]​ethyl]​-​, 1,​1-​dimethylethyl ester
IUPAC Name	2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 4-methylbenzenesulfonate
InChI	InChI=1S/C14H21NO5S/c1-11-5-7-12(8-6-11)21(17,18)19-10-9-15-13(16)20-14(2,3)4/h5-8H,9-10H2,1-4H3,(H,15,16)
InChI Key	OWNIGLWHXOENAA-UHFFFAOYSA-N
MDL Number	MFCD07776965
Molecular Formula	C14H21NO5S
Molecular Weight	315.3852
SMILES	CC1=CC=C(C=C1)S(=O)(=O)OCCNC(=O)OC(C)(C)C
Synonyms	158690-56-3, Tert-butyl n-[2-(tosyloxy)ethyl]carbamate, 2-((tert-Butoxycarbonyl)amino)ethyl 4-methylbenzenesulfonate, 2-(tert-butoxycarbonylamino)ethyl 4-methylbenzenesulfonate, tert-butyl N-{2-[(4-methylbenzenesulfonyl)oxy]ethyl}carbamate, SCHEMBL791306, CTK4C9795, DTXSID20444861, OWNIGLWHXOENAA-UHFFFAOYSA-N, MFCD07776965, ZINC34466158, AKOS015909305, NE53859, QC-2227, AJ-88737, AS-54919, 2-(tert-Butyloxycarbonylamino)ethyl Tosylate, 4CH-000783, FT-0080671, FT-0650923, ST24039026, 2-(tert-butyloxycarbonylamino)-ethyl tosylate, EN300-75497, 2-tert-butoxycarbonylaminoethyl 4-toluenesulfonate, I14-33083, 2-(tert-butoxy-carbonylamino)ethyl 4-methylbenzenesulfonate, toluene-4-sulfonic acid 2-tert-butoxycarbonylamino-ethyl Ester, 2-[(tert-Butoxycarbonyl)amino]ethyl 4-methylbenzene-1-sulfonate, p-Toluenesulfonic acid 2-[(tert-butyloxycarbonyl)amino]ethyl ester, tert-butyl N-(2-{[(4-methylbenzene)sulfonyl]oxy}ethyl)carbamate, 2-({[(1,1-dimethylethyl)oxy]carbonyl}amino)ethyl 4-methylbenzenesulfonate, Carbamic acid, N-[2-[[(4-methylphenyl)sulfonyl]oxy]ethyl]-, 1,1-dimethylethyl ester, Carbamic acid,N-[2-[[(4-methylphenyl)sulfonyl]oxy]ethyl]-, 1,1-dimethylethyl ester, RW1464, CID10781634, Tert-butyl N-[2-(4-methylphenyl)sulfonyloxyethyl]carbamate,

Complexity	427
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	315.114g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	315.384g/mol
Monoisotopic Mass	315.114g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	90.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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