AG001MXW

15089-51-7 | Benzoic acid, 2-amino-4,5-dimethyl-

AG001MXW

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CAS Number	15089-51-7
Catalog Number	AG001MXW(AGN-PC-0JNZXC)
Chemical Name	Benzoic acid, 2-amino-4,5-dimethyl-
IUPAC Name	2-amino-4,5-dimethylbenzoic acid
InChI	InChI=1S/C9H11NO2/c1-5-3-7(9(11)12)8(10)4-6(5)2/h3-4H,10H2,1-2H3,(H,11,12)
InChI Key	REBBDMHTSKPGCO-UHFFFAOYSA-N
MDL Number	MFCD00156998
Molecular Formula	C9H11NO2
Molecular Weight	165.1891
NSC Number	104996
SMILES	OC(=O)c1cc(C)c(cc1N)C
Synonyms	2-amino-4,5-dimethylbenzoic acid, 15089-51-7, 2-AMINO-4,5-DIMETHYL-BENZOIC ACID, 4,5-dimethylanthranilic acid, Benzoic acid, 2-amino-4,5-dimethyl-, 4,5-Dimethylanthanilic acid, NSC104996, ACMC-20cpdx, AC1Q5TMA, Intermediates-ZCF02151, AC1L6G9C, NCIOpen2_002111, SCHEMBL974647, CTK0I4082, DTXSID10295728, REBBDMHTSKPGCO-UHFFFAOYSA-N, 4,5-Dimethyl-2-aminobenzoic acid, 2-amino-4,5-dim-ethylbenzoic acid, KS-000002JY, ZINC1686187, 1499AJ, MFCD00156998, Benzoicacid, 2-amino-4,5-dimethyl-, AKOS006229285, CM12386, DS-6552, NSC-104996, AJ-29841, AK142825, SC-69249, DB-063873, FT-0729284, Z-6333, 2-Amino-4,5-dimethyl-benzoic acid, AldrichCPR, Z1945984054, C9H11NO2, AR-1D8310, CID266534, A2850, 50767-24-3, 5628-48-8,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	165.192g/mol
Monoisotopic Mass	165.079g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number