AG002M2D

230615-69-7 | Ethanone, 1-(7,8-diamino-1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoro-

AG002M2D

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CAS Number	230615-69-7
Catalog Number	AG002M2D(AGN-PC-0QZK5L)
Chemical Name	Ethanone, 1-(7,8-diamino-1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoro-
IUPAC Name	1-(4,5-diamino-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone
InChI	InChI=1S/C13H14F3N3O/c14-13(15,16)12(20)19-4-6-1-7(5-19)9-3-11(18)10(17)2-8(6)9/h2-3,6-7H,1,4-5,17-18H2
InChI Key	LWZYCQINJXEWRC-UHFFFAOYSA-N
MDL Number	MFCD11042283
Molecular Formula	C13H14F3N3O
Molecular Weight	285.2650
SMILES	NC1=C(N)C=C2C(C3)CN(C(C(F)(F)F)=O)CC3C2=C1
Synonyms	230615-69-7, 2,3,4,5-Tetrahydro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine-7,8-diamine, 1-(7,8-Diamino-4,5-dihydro-1H-1,5-methanobenzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone, W-201965, 1-(7,8-Diamino-1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoroethanone, Ethanone,1-(7,8-diamino-1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoro-, LWZYCQINJXEWRC-UHFFFAOYSA-N, SCHEMBL225186, CTK4F0792, DTXSID90470298, CS-B1545, AKOS025402429, AC-9010, FCH2900511, 1,5-Methano-1H-3-benzazepine-7,8-diamine, 2,3,4,5-tetrahydro-3-(trifluoroacetyl)- (9CI), CS-13064, FT-0675065, 1-(4,5-Diamino-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2 trifluoro-ethanone, 1-(4,5-Diamino-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone, 1-(4,5-diamino-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoroethanone, 1-(4,5-Diamino-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-10-yl)-2,2,2-trifluoro-ethanone, 1-(4,5-diamino-10-aza-tricyclo[6.3.1.02.7]dodeca-2(7),3,5 -trien-10-yl)-2,2,2-trifluoro-ethanone, 1-(4,5-diamino-10-aza-tricyclo[6.3.1.02.7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone, 1-(7,8-Diamino-1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoro-ethanone, 1-(7,8-Diamino-1,2,4,5-tetrahydro-3H-1,5-methano-3-benzazepin-3-yl)-2,2,2-trifluoroethan-1-one, Ethanone, 1-(7,8-diamino-1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoro-, CID11666368, CID 11346665,

Complexity	390
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	285.109g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	285.27g/mol
Monoisotopic Mass	285.109g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	72.4A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number