AG007JGK

301533-59-5 | Methyl 4-butyramido-3-methylbenzoate

AG007JGK

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CAS Number	301533-59-5
Catalog Number	AG007JGK(AGN-PC-0MUN54)
Chemical Name	Methyl 4-butyramido-3-methylbenzoate
EC Number	926-717-7
IUPAC Name	methyl 4-(butanoylamino)-3-methylbenzoate
InChI	InChI=1S/C13H17NO3/c1-4-5-12(15)14-11-7-6-10(8-9(11)2)13(16)17-3/h6-8H,4-5H2,1-3H3,(H,14,15)
InChI Key	RZMQQYDXKPDLJH-UHFFFAOYSA-N
MDL Number	MFCD09839029
Molecular Formula	C13H17NO3
Molecular Weight	235.2790
SMILES	O=C(OC)C1=CC=C(NC(CCC)=O)C(C)=C1
Synonyms	Methyl 4-butyramido-3-methylbenzoate, 301533-59-5, Methyl 4-butylacetamino-3-methylbenzoate, Benzoic acid, 3-methyl-4-[(1-oxobutyl)amino]-, methyl ester, Methyl 4-(butanoylamino)-3-methyl-benzoate, BEN178, SCHEMBL3789228, CTK6D3301, DTXSID80431858, RZMQQYDXKPDLJH-UHFFFAOYSA-N, KS-00000O0Q, ANW-44231, MFCD09839029, ZINC29824793, AKOS009141931, AC-6860, AM90300, AN-9587, AJ-83807, AK-93046, DS-17765, methyl 4-(butanoylamino)-3-methylbenzoate, methyl N-butyryl-4-amino-3-methylbenzoate, methyl N-butyryl-4-amino-3-methyl-benzoate, TC-132976, FT-0658737, 4-BUTYRYLAMINO-3-METHYL-BENZOIC ACID METHYL ESTER, CID9856104, 4-Butylacetamino-3-Methylbenzoic Acid Methyl Ester, 209216-23-9,

Complexity	278
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.121g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	235.283g/mol
Monoisotopic Mass	235.121g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number