AG003DA6

1127-74-8 | 1,2,3,4-Tetrahydrobenzo[b]azepin-5-one

AG003DA6

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CAS Number	1127-74-8
Catalog Number	AG003DA6(AGN-PC-0JPE44)
Chemical Name	1,2,3,4-Tetrahydrobenzo[b]azepin-5-one
IUPAC Name	1,2,3,4-tetrahydro-1-benzazepin-5-one
InChI	InChI=1S/C10H11NO/c12-10-6-3-7-11-9-5-2-1-4-8(9)10/h1-2,4-5,11H,3,6-7H2
InChI Key	NKRKBYFBKLDCFB-UHFFFAOYSA-N
MDL Number	MFCD03426404
Molecular Formula	C10H11NO
Molecular Weight	161.2004
NSC Number	163836
SMILES	C1=C2C(=CC=C1)NCCCC2=O
Synonyms	1127-74-8, 1,2,3,4-Tetrahydro-benzo[b]azepin-5-one, 1,2,3,4-tetrahydrobenzo[b]azepin-5-one, 1,2,3,4-Tetrahydrobenzoazepine-5-one, 3,4-dihydro-1H-benzo[b]azepin-5(2H)-one, 1,2,3,4-Tetrahydro-5H-1-benzazepin-5-one, 1,2,3,4-tetrahydro-1-benzazepin-5-one, 2,3,4,5-tetrahydro-1H-1-benzazepin-5-one, 5H-1-BENZAZEPIN-5-ONE, 1,2,3,4-TETRAHYDRO-, 5-oxo-2,3,4,5-tetrahydro-1H-benzazepine, 1,2,3,4-tetrahydrobenzazepine-5-one, 97%, NSC163836, zlchem 1002, PubChem17356, AC1L6MOA, ACMC-1BPR5, KSC178O5F, SCHEMBL641073, CTK0H8752, DTXSID90303976, ZLD0468, NKRKBYFBKLDCFB-UHFFFAOYSA-N, ACN-S003115, ACT07385, ZINC4244951, ANW-16525, BBL103885, CT-612, CT0048, MFCD03426404, SBB068320, STL557695, AKOS006344958, AB14874, AC-6631, AN-9803, AS06635, CE-0212, CS-W003071, LS41750, MCULE-3995060336, NSC-163836, RP10232, RTC-067952, TRA0024331, WT82444, 1,2,3,4-tetrahydro-benzobazepin-5-one, AJ-49644, AK-29782, BC215484, BR-29782, CJ-11684, SC-20024, SY009734, 1,2,3,4-tetrahydrobenzo[b]azepin-5-tone, AB0004742, DB-005615, ST2408410, TC-067952, 2,3-Dihydro-1H-1-benzazepine-5(4H)-one, AM20061031, FT-0080862, FT-0600780, TL80073553, X9031, 1,2,3,4-TETRAHYDROBENZAZEPINE-5-ONE, 1H,2H,3H,4H-benzo[f]azaperhydroepin-5-one, 3,4-dihydro-1H-benzo[b]azepine-5(2H)-one, 5-oxo-2,3,4,5-tetrahydro-1h-1-benzazepine, MFCD03426404 (97%), 1,2,3,4-tetrahydro-5H-benzo[b]azepin-5-one, B-1897, T50011, 127T748, I14-6107, J-511162, tetrahydrobenzazepinone, Quinolin-8-ol 1-oxide, C10H11NO, CID294788, ACN-037844, A2272,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.084g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	161.204g/mol
Monoisotopic Mass	161.084g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number