AG003K79

5429-28-7 | 4-(diethylamino)benzoic acid

AG003K79

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CAS Number	5429-28-7
Catalog Number	AG003K79(AGN-PC-0JLS18)
Chemical Name	4-(diethylamino)benzoic acid
EC Number	226-582-8
IUPAC Name	4-(diethylamino)benzoic acid
InChI	InChI=1S/C11H15NO2/c1-3-12(4-2)10-7-5-9(6-8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14)
InChI Key	LNYTUARMNSFFBE-UHFFFAOYSA-N
MDL Number	MFCD00075091
Molecular Formula	C11H15NO2
Molecular Weight	193.2423
NSC Number	14115
SMILES	O=C(O)C1=CC=C(N(CC)CC)C=C1
Synonyms	4-(Diethylamino)benzoic acid, 5429-28-7, 4-Diethylaminobenzoic Acid, Benzoic acid, 4-(diethylamino)-, 4-N,N-Diethylaminobenzoic acid, LNYTUARMNSFFBE-UHFFFAOYSA-N, 4-(Diethylamino)benzoic acid, 99%, MFCD00002538, p-(Diethylamino)benzoic acid, 4-DIETHYLAMINOBENZOICACID, EINECS 226-582-8, NSC 14115, ACMC-209lfa, 4-(diethylamino)benzoic, AC1Q2YZQ, p-Diethylaminobenzoic acid, ChemDiv3_014193, 4-diethylamino benzoic acid, 4-diethylamino-benzoic acid, AC1L2XH4, AC1Q5U0D, Oprea1_667232, SCHEMBL64440, MLS000586673, BIDD:GT0606, Benzoic acid,4-(diethylamino)-, CHEMBL1535775, DTXSID9063877, CTK5A0368, p-(N,N-diethylamino)benzoic acid, HMS1513F03, HMS2587A04, ACT09832, ADAL1058218, KS-000014FV, NSC14115, ANW-32036, HTS006457, NSC-14115, SBB028518, STK412050, ZINC53943723, AKOS000119496, MCULE-4615903944, NE25668, PS-4056, TRA0075125, VZ27883, IDI1_029991, NCGC00245937-01, AC-11358, L709, SC-47265, SMR000208052, AJ-112240, DB-052532, TC-120781, D2493, EU-0033312, FT-0618341, ST24028805, ST50213890, AB00543202-06, AK-968/41025165, SR-01000597213, I05-3173, SR-01000597213-1, W-105646, F0850-6791, 3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide, InChI=1/C11H15NO2/c1-3-12(4-2)10-7-5-9(6-8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14, 4-(Diethylamino)benzoicacid, C11H15NO2, CID79480, 4-(N-N-Diethylamino)-Benzoic Acid, AR-1F6864, C11-H15-N-O2, 4-(Diethylamino)benzoic acid, 99% - 25G 25g, 5579-43-1,

Complexity	182
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.11g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	193.246g/mol
Monoisotopic Mass	193.11g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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