AG003IVU

2458-12-0 | 3-Amino-4-Methylbenzoic Acid

AG003IVU

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CAS Number	2458-12-0
Catalog Number	AG003IVU(AGN-PC-0JLPG1)
Chemical Name	3-Amino-4-Methylbenzoic Acid
EC Number	219-543-1
IUPAC Name	3-amino-4-methylbenzoic acid
InChI	InChI=1S/C8H9NO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,9H2,1H3,(H,10,11)
InChI Key	XKFIFYROMAAUDL-UHFFFAOYSA-N
MDL Number	MFCD00007742
Molecular Formula	C8H9NO2
Molecular Weight	151.1626
NSC Number	597
SMILES	C1=C(C(=CC=C1C(=O)O)C)N
UNII	BU165505VM
Synonyms	3-Amino-4-methylbenzoic acid, 2458-12-0, 3-Amino-p-toluic acid, 3-Amino-4-Methyl-Benzoic Acid, 3-Amino-4-methylbenzoicacid, MFCD00007742, Benzoic acid, 3-amino-4-methyl-, XKFIFYROMAAUDL-UHFFFAOYSA-N, 3-Amino-4-methylbenzoic acid, 99%, NSC597, EINECS 219-543-1, PubChem8194, AC1Q2FJK, ACMC-209gd7, AC1L2P1M, AC1Q5TR1, KSC204I9F, SCHEMBL377075, UNII-BU165505VM, 3-amino 4-methyl benzoic acid, 3-Amino-4-methyl benzoic acid, Jsp004908, CTK1A4492, KS-00000CAB, DTXSID30179319, NSC-597, BU165505VM, ZINC164385, BCP24514, ANW-25481, BBL009326, SBB063163, STK498489, AKOS000120237, AC-5774, CS-W010963, MCULE-3449893724, RP21473, RTR-036249, TRA0014612, AJ-16131, AK-34321, AN-10637, AS-12553, BC201386, BR-34321, SC-02834, SY001489, AB0012122, AB1002582, TL8002017, TR-036249, A0920, A5048, AM20060571, FT-0614989, ST24032582, ST50824261, MFCD00007742 (98%), M-6201, 114252-EP2289894A2, 114252-EP2298743A1, I01-0661, Q-200358, Z57127001, F2191-0175, InChI=1/C8H9NO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,9H2,1H3,(H,10,11, C8H9NO2, Acide amino-3-methyl-4-benzoique, C8-H9-N-O2, CID75568, AR-1F1815, benzoic acid, 3-amino-4-methyl- (9ci), 3'-Amino-2'-hydroxyacetophenone hydrochloride, 3-Amino-4-methylbenzoic acid, 99% - 100G 100g, 25254-20-0,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	151.063g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	151.165g/mol
Monoisotopic Mass	151.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

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