AG00IBXD

6933-47-7 | Benzoic acid, 4-amino-2-methyl-, methyl ester

AG00IBXD

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CAS Number	6933-47-7
Catalog Number	AG00IBXD(AGN-PC-00DUS8)
Chemical Name	Benzoic acid, 4-amino-2-methyl-, methyl ester
IUPAC Name	methyl 4-amino-2-methylbenzoate
InChI	InChI=1S/C9H11NO2/c1-6-5-7(10)3-4-8(6)9(11)12-2/h3-5H,10H2,1-2H3
InChI Key	NRTWXBXJSGGTTE-UHFFFAOYSA-N
MDL Number	MFCD08458829
Molecular Formula	C9H11NO2
Molecular Weight	165.1891
SMILES	NC1=CC(=C(C(=O)OC)C=C1)C
Synonyms	Methyl 4-amino-2-methylbenzoate, 6933-47-7, Methyl4-amino-2-methylbenzoate, 4-amino-2-methyl-benzoic acid methyl ester, 4-Amino-2-methylbenzoic acid methyl ester, Benzoic acid, 4-amino-2-methyl-, methyl ester, MFCD08458829, Methyl 4-amino-2-methyl-benzoate, PubChem13977, AC1Q41XG, KSC629I2T, SCHEMBL132755, CTK5C9429, DTXSID60470361, NRTWXBXJSGGTTE-UHFFFAOYSA-N, methyl 4-azanyl-2-methyl-benzoate, WT088, 5-Amino-2-(methoxycarbonyl)toluene, ACT05107, BCP24548, 4-(Methoxycarbonyl)-3-methylaniline, ANW-49585, SBB053715, STL220828, ZINC15442543, AKOS005258859, AM83064, AS04604, CS-W003522, DS-1125, MCULE-7976786683, RP02429, RP22794, AC-23049, AJ-67382, AK-46101, BC676769, BR-46101, CJ-15115, SC-71693, SY030415, TS-02209, AB0026287, DB-032234, ST2419566, TC-138330, 4CH-015567, FT-0630101, TL80074022, W7917, 6933-47-7 methyl 4-amino-2-methylbenzoate, Benzoic acid,4-amino-2-methyl-, methyl ester, EN300-68820, MFCD08458829 (98%), S-3855, 933M477, A836438, I01-7298, J-522289, Z1100275569, C9H11NO2, CID11672721,

Complexity	170
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	1
Isotope Atom Count	0
Molecular Weight	165.192g/mol
Monoisotopic Mass	165.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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