AG003K7V

17078-28-3 | Benzeneacetic acid, 4-​(dimethylamino)​-

AG003K7V

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CAS Number	17078-28-3
Catalog Number	AG003K7V(AGN-PC-0JPIRK)
Chemical Name	Benzeneacetic acid, 4-​(dimethylamino)​-
IUPAC Name	2-[4-(dimethylamino)phenyl]acetic acid
InChI	InChI=1S/C10H13NO2/c1-11(2)9-5-3-8(4-6-9)7-10(12)13/h3-6H,7H2,1-2H3,(H,12,13)
InChI Key	KQGHTOZUPICELS-UHFFFAOYSA-N
MDL Number	MFCD00075591
Molecular Formula	C10H13NO2
Molecular Weight	179.2157
SMILES	C(C(=O)O)c1ccc(cc1)N(C)C
Synonyms	4-dimethylaminophenylacetate, 4-N,N-dimethylaminophenylacetic acid, 4-(Dimethylamino)phenylacetic acid, 17078-28-3, 2-(4-(Dimethylamino)phenyl)acetic acid, 2-[4-(dimethylamino)phenyl]acetic acid, 4-N,N-Dimethylaminophenylacetic acid, 4-(Dimethylamino)benzeneacetic acid, [4-(Dimethylamino)phenyl]acetic acid, Benzeneacetic acid, 4-(dimethylamino)-, 4-Dimethylaminophenylacetate, ACMC-20a4gq, AC1Q3WDA, SCHEMBL202439, 4-dimethylaminophenylacetic acid, AC1L47W2, CTK4D3706, DTXSID90168941, KQGHTOZUPICELS-UHFFFAOYSA-N, (4-dimethylaminophenyl)acetic acid, WT757, ZINC156076, 4-(dimethylamino)phenyl acetic acid, BCP22029, ANW-56712, MFCD00075591, SBB052676, (4-dimethylamino-phenyl)-acetic acid, 2-(4-dimethylaminophenyl)acetic acid, AKOS009158418, Benzeneacetic acid,4-(dimethylamino)-, 4-(N,N-dimethylamino)phenylacetic acid, MCULE-5581642533, VZ27903, 2-[4-(dimethylamino)phenyl]ethanoic acid, 4-(Dimethylamino)phenylacetic acid, 97%, AJ-13686, SC-43877, TS-02500, AB0032232, DB-043834, TC-145457, AM20030139, FT-0637491, ST50949556, X5523, KS-00001910, Y-8661, 078D283, A811237, J-010650, 17078-28-3 2-(4-(dimethylamino)phenyl)acetic acid, InChI=1/C10H13NO2/c1-11(2)9-5-3-8(4-6-9)7-10(12)13/h3-6H,7H2,1-2H3,(H,12,13, Dmapaa, C10H13NO2, C10-H13-N-O2, CID152203,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.095g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.219g/mol
Monoisotopic Mass	179.095g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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

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