AG001QB5

158576-31-9 | Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester

AG001QB5

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CAS Number	158576-31-9
Catalog Number	AG001QB5(AGN-PC-0MWX19)
Chemical Name	Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester
IUPAC Name	2-ethylhexyl 4-(methylamino)benzoate
InChI	InChI=1S/C16H25NO2/c1-4-6-7-13(5-2)12-19-16(18)14-8-10-15(17-3)11-9-14/h8-11,13,17H,4-7,12H2,1-3H3
InChI Key	BJNUBFKLXPUYKI-UHFFFAOYSA-N
MDL Number	MFCD32206307
Molecular Formula	C16H25NO2
Molecular Weight	263.3752
SMILES	CCCCC(COC(=O)c1ccc(cc1)NC)CC
Synonyms	Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester, 158576-31-9, 2-ETHYLHEXYL 4-(METHYLAMINO)BENZOATE, SCHEMBL4278147, CTK0E7092, DTXSID70433866, 4-(Methylamino)benzoic acid 2-ethylhexyl ester, 2-ethylhexyl 4-methylaminobenzoate, CID9992943,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	263.189g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	263.381g/mol
Monoisotopic Mass	263.189g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	4.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	\N

Certificate of Analysis

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