AG0022CB

18076-19-2 | Ethanone, 1-[3-amino-4-(methylamino)phenyl]-

AG0022CB

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CAS Number	18076-19-2
Catalog Number	AG0022CB(AGN-PC-0QBWIP)
Chemical Name	Ethanone, 1-[3-amino-4-(methylamino)phenyl]-
IUPAC Name	1-[3-amino-4-(methylamino)phenyl]ethanone
InChI	InChI=1S/C9H12N2O/c1-6(12)7-3-4-9(11-2)8(10)5-7/h3-5,11H,10H2,1-2H3
InChI Key	BDFJKWSILZEFMQ-UHFFFAOYSA-N
MDL Number	MFCD03407301
Molecular Formula	C9H12N2O
Molecular Weight	164.2044
SMILES	CC(C1=CC=C(NC)C(N)=C1)=O
Synonyms	18076-19-2, 1-(3-Amino-4-(methylamino)phenyl)ethanone, 1-[3-amino-4-(methylamino)phenyl]ethanone, 1-[3-amino-4-(methylamino)phenyl]-1-ethanone, 1-[3-Amino-4-(methylamino)phenyl]ethan-1-one, 3'-Amino-4'-(methylamino)acetophenone, 1-(3-Amino-4-methylamino-phenyl)-ethanone, Ethanone,1-[3-amino-4-(methylamino)phenyl]-, W-206286, MFCD03407301, 1-(3-amino-4-(methylamino)phenyl)ethan-1-one, AC1MCWAD, SCHEMBL2245773, CTK4D7700, KS-00003QPG, DTXSID80381541, BDFJKWSILZEFMQ-UHFFFAOYSA-N, ZINC161916, ZX-AT001815, CCG-53873, FCH918791, SBB055100, AKOS006229224, AN-2369, OR25963, PS-4425, RP02373, ACM18076192, 1-acetyl-3-amino-4-(methylamino)benzene, AJ-15827, AM807183, AB0040443, AX8055499, DB-065333, FT-0607120, Y8046, A-7274, Ethanone, 1-[3-amino-4-(methylamino)phenyl]-, SR-01000643006-1, I14-35000, 1-[3-amino-4-(methylamino)phenyl]-1-ethanone, AldrichCPR, C9H12N2O, ZINC00161916, CID2779769, 1-(3-amino-4-(methylamino)phenyl)ethanone, 95% - 1G 1g,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.095g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	164.208g/mol
Monoisotopic Mass	164.095g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P261-P280
UN Code

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