AG003LAA

5520-66-1 | 4-Diethylaminoacetophenone

AG003LAA

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CAS Number	5520-66-1
Catalog Number	AG003LAA(AGN-PC-0JMQ6N)
Chemical Name	4-Diethylaminoacetophenone
IUPAC Name	1-[4-(diethylamino)phenyl]ethanone
InChI	InChI=1S/C12H17NO/c1-4-13(5-2)12-8-6-11(7-9-12)10(3)14/h6-9H,4-5H2,1-3H3
InChI Key	HMIBQFXWSUBFTG-UHFFFAOYSA-N
MDL Number	MFCD00043651
Molecular Formula	C12H17NO
Molecular Weight	191.2695
SMILES	CC(C1=CC=C(N(CC)CC)C=C1)=O
Synonyms	5520-66-1, 4'-Diethylaminoacetophenone, p-Diethylaminoacetophenone, 4-Diethylaminoacetophenone, 1-(4-(Diethylamino)phenyl)ethanone, 1-[4-(Diethylamino)phenyl]ethanone, Ethanone, 1-[4-(diethylamino)phenyl]-, MFCD00043651, FR-1186, 1-acetyl-4-(diethylamino)benzene, ACMC-1ASPZ, AC1L3D0D, 4''-Diethylaminoacetophenone, 4-Acetyl-N,N-diethylaniline, SCHEMBL181431, CTK5A3214, DTXSID40203699, HMIBQFXWSUBFTG-UHFFFAOYSA-N, ADAL1094408, KS-000010PJ, ZINC2584500, ANW-32258, SBB008297, AKOS000220913, 1-[4-(Diethylamino)phenyl]ethanone #, BBV-114396, Ethanone,1-[4-(diethylamino)phenyl]-, MCULE-2536611202, RTR-019467, VZ27356, 1-[4-(diethylamino)phenyl]ethan-1-one, 4'-Diethylaminoacetophenone, AldrichCPR, CC-19041, DB-052697, D2084, FT-0635760, ST50408169, A830525, C-08289, I05-2895, CID138529, ZINC02584500,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.131g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	191.274g/mol
Monoisotopic Mass	191.131g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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