AG003577

21339-74-2 | Methyl 4-amino-2,5-dimethylbenzoate

AG003577

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CAS Number	21339-74-2
Catalog Number	AG003577(AGN-PC-0JO47O)
Chemical Name	Methyl 4-amino-2,5-dimethylbenzoate
IUPAC Name	methyl 4-amino-2,5-dimethylbenzoate
InChI	InChI=1S/C10H13NO2/c1-6-5-9(11)7(2)4-8(6)10(12)13-3/h4-5H,11H2,1-3H3
InChI Key	VXKXKISPMWOIKB-UHFFFAOYSA-N
MDL Number	MFCD09839220
Molecular Formula	C10H13NO2
Molecular Weight	179.2157
NSC Number	118434
SMILES	COC(=O)c1cc(C)c(cc1C)N
Synonyms	methyl 4-amino-2,5-dimethylbenzoate, 21339-74-2, methyl 4-amino-2,5-dimethylbenzoate, AK113234, Benzoic acid, 4-amino-2,5-dimethyl-, methyl ester, NSC118434, PubChem4687, AC1L6SYE, AC1Q5Z2G, SCHEMBL274700, CTK4E6539, DTXSID40297836, VXKXKISPMWOIKB-UHFFFAOYSA-N, KS-000001WB, Methyl4-amino-2,5-dimethylbenzoate, ZINC1708431, FCH874545, MFCD09839220, AKOS006328780, CM12388, DS-6127, NSC-118434, OR52228, AJ-30724, AX8161288, DB-066483, FT-0713885, Z1756, A20132, 4-Amino-2,5-dimethyl-benzoic acid methyl ester, Benzoic acid,4-amino-2,5-dimethyl-, methyl ester, C10H13NO2, AR-1J5389, CID273299, 21444-36-0,

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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