AG006Z61

22246-76-0 | 8-Amino-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one

AG006Z61

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CAS Number	22246-76-0
Catalog Number	AG006Z61(AGN-PC-0LE7L0)
Chemical Name	8-Amino-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one
IUPAC Name	8-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one
InChI	InChI=1S/C10H12N2O/c11-8-5-4-7-2-1-3-10(13)12-9(7)6-8/h4-6H,1-3,11H2,(H,12,13)
InChI Key	XRJMPABWIZHNQA-UHFFFAOYSA-N
MDL Number	MFCD04038431
Molecular Formula	C10H12N2O
Molecular Weight	176.2151
SMILES	O=C1CCCC2=CC=C(N)C=C2N1
Synonyms	22246-76-0, 8-amino-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one, 8-amino-1,3,4,5-tetrahydro-benzo[b]azepin-2-one, 8-Amino-1,3,4,5-tetrahydrobenzo[b]azepin-2-one, 8-amino-1,3,4,5-tetrahydrobenzobazepine-2-one, 8-amino-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one, 2h-1-benzazepin-2-one, 8-amino-1,3,4,5-tetrahydro-, 8-AMINO-1,3,4,5-TETRAHYDRO-2H-1-BENZAZEPIN-2-ONE, AK-44600, AC1NECBZ, SCHEMBL995002, CTK4E8996, DTXSID50404913, XRJMPABWIZHNQA-UHFFFAOYSA-N, ACT09286, KS-000006SD, ZINC4202778, ANW-73856, FCH848627, MFCD04038431, AKOS006293664, AS06599, DS-1557, PB20088, AJ-48499, BC222751, BR-44600, AB0005776, AX8032719, ST2419057, TC-162601, 4CH-013377, AM20030377, CS-0004301, FT-0768120, W4589, A13869, C-8460, 8-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one, 8-amino-1,3,4,5-tetrahydrobenzo[b]azepine-2-one, S14-2517, 2H-1-Benzazepin-2-one,8-amino-1,3,4,5-tetrahydro-, 8-amino-1,3,4,5-tetrahydro-benzo[b]azepin-2-one, AldrichCPR, 2h-1-benzazepin-2-one, C10H12N2O, CID4615168, 9-amino-6-azabicyclo[5.4.0]undeca-8,10,12-trien-5-one,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.095g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	176.219g/mol
Monoisotopic Mass	176.095g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number