AG006WKF

24310-36-9 | 1-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydrobenzo[b]azepin-5-one

AG006WKF

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CAS Number	24310-36-9
Catalog Number	AG006WKF(AGN-PC-0JO055)
Chemical Name	1-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydrobenzo[b]azepin-5-one
IUPAC Name	1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one
InChI	InChI=1S/C17H17NO3S/c1-13-8-10-14(11-9-13)22(20,21)18-12-4-7-17(19)15-5-2-3-6-16(15)18/h2-3,5-6,8-11H,4,7,12H2,1H3
InChI Key	OTPIOAHUBNERHE-UHFFFAOYSA-N
MDL Number	MFCD00795994
Molecular Formula	C17H17NO3S
Molecular Weight	315.3868
NSC Number	105655
SMILES	CC1=CC=C(C=C1)S(=O)(=O)N1CCCC(=O)C2=C1C=CC=C2
Synonyms	24310-36-9, 1-Tosyl-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one, 1-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydrobenzo[b]azepin-5-one, 1-[(4-Methylphenyl)sulfonyl]-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one, 1-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydrobenzobazepin-5-one, OTPIOAHUBNERHE-UHFFFAOYSA-N, 1-tosyl-1,2,3,4-tetrahydrobenzo[b]azepin-5-one, 5H-1-Benzazepin-5-one, 1,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-, AK-54954, 1-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydro-benzo[b]azepin-5-one, 1-(TOLUENE-4-SULFONYL)-1,2,3,4-TETRAHYDRO-BENZO(B)AZEPIN-5-ONE, NSC105655, AC1L6GYF, AC1Q2QS9, SCHEMBL1495922, CTK4F3342, DTXSID80295831, ZINC404817, 1785AB, 5H-1-Benzazepin-5-one, 1,2,3,4-tetrahydro-1-(p-tolylsulfonyl)-, ANW-55892, MFCD00795994, AKOS015842544, AB07154, AE-0248, MCULE-2619715968, NSC-105655, RP16403, methylphenylsulfonyltetrahydrobenzazepinone, AC-25909, AJ-22426, BC223181, BP-30012, EN000022, OR322613, SC-29068, SY030925, TZ000736, AX8051900, TR-031503, FT-0681896, MFCD00795994 (95%), T50035, Y-9837, 310T369, 1-Tosyl-2,3-dihydro-1H-1-benzazepine-5(4H)-one, J-505162, 1-(toluene-4-sulfonyl)-1,2,3,4-tetrahydrobenzo[b]a, 1-tosyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one, 1-tosyl-3,4-dihydro-1H-benzo[b]azepine-5(2H)-one, I01-13703, 1-tosyl-2,3,4,5-tetrahydro-1-H-1 -benzazepin-5-one, 1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one, 5H-1-Benzazepin-5-one,2,3,4-tetrahydro-1-(p-tolylsulfonyl)-, 1,2,3,4-tetrahydro-1-(4-methylbenzenesulfonyl)-1-benzazepin-5-one, 1-(4-methylbenzenesulfonyl)-3,4-dihydro-2H-1-benzazepin-5-one, 1-(p-toluenesulfonyl)-5-oxo-2,3,4,5-tetrahydro-1H-benzazepine, (+/-)1-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydro-benzo[b]azepin-5-one, 1-(4-Methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one, 1-(4-methylbenzenesulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one, 1-[(4-Methylbenzene)sulfonyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one, 1-[(4-Methylphenyl)sulfonyl]-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one #, 5H-1-Benzazepin-5-one,1,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-, 5H-1-Benzazepin-5-one,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-, C17H17NO3S, KST-1B2134, AR-1B3336, CID266852, 2443-58-5,

Complexity	503
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	315.093g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	315.387g/mol
Monoisotopic Mass	315.093g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	62.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number