AG002PIF

24812-89-3 | Benzoic acid, 3-amino-2,4-dimethyl-, methyl ester

AG002PIF

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CAS Number	24812-89-3
Catalog Number	AG002PIF(AGN-PC-0H712V)
Chemical Name	Benzoic acid, 3-amino-2,4-dimethyl-, methyl ester
IUPAC Name	methyl 3-amino-2,4-dimethylbenzoate
InChI	InChI=1S/C10H13NO2/c1-6-4-5-8(10(12)13-3)7(2)9(6)11/h4-5H,11H2,1-3H3
InChI Key	VXCDYRLZDFQUCJ-UHFFFAOYSA-N
MDL Number	MFCD22494937
Molecular Formula	C10H13NO2
Molecular Weight	179.2157
SMILES	O=C(OC)C1=CC=C(C)C(N)=C1C
Synonyms	Methyl 3-amino-2,4-dimethylbenzoate, 24812-89-3, AK-93381, 3-Amino-2,4-dimethyl-benzoic acid methyl ester, SCHEMBL998094, CTK8C1595, DTXSID70735933, VXCDYRLZDFQUCJ-UHFFFAOYSA-N, ANW-66947, MFCD22494937, ZINC85210528, AKOS016008084, methyl 3-amino-2,4-dimethyl-benzoate, FCH2261980, MP-0336, CJ-22285, DS-17829, AJ-126633, AX8227896, TC-155692, 4CH-011622, ST24025271, Z4492, Benzoic acid, 3-amino-2,4-dimethyl-, methyl ester, C10H13NO2, Methyl3-amino-2,4-dimethylbenzoate,

Complexity	193
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	2
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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