AG00GTO8

Name: 4-[(isobutyrylamino)methyl]benzoic acid
Brand: Angene Chemical
SKU: AG00GTO8

908495-37-4 | 4-[(isobutyrylamino)methyl]benzoic acid

AG00GTO8

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CAS Number	908495-37-4
Catalog Number	AG00GTO8(AGN-PC-0WB539)
Chemical Name	4-[(isobutyrylamino)methyl]benzoic acid
IUPAC Name	4-[(2-methylpropanoylamino)methyl]benzoic acid
InChI	InChI=1S/C12H15NO3/c1-8(2)11(14)13-7-9-3-5-10(6-4-9)12(15)16/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)
InChI Key	RMFFHXZHRXYKDW-UHFFFAOYSA-N
MDL Number	MFCD08593372
Molecular Formula	C12H15NO3
Molecular Weight	221.2524
SMILES	C(C(C)C)(=O)NCC1=CC=C(C(=O)O)C=C1
Synonyms	4-[(isobutyrylamino)methyl]benzoic acid, 908495-37-4, CHEMBRDG-BB 9071245, 4-(Isobutyramidomethyl)benzoic acid, 4-[(2-methylpropanamido)methyl]benzoic acid, 4-{[(2-methylpropanoyl)amino]methyl}benzoic acid, SCHEMBL4562855, CTK5G8529, DTXSID80589328, RMFFHXZHRXYKDW-UHFFFAOYSA-N, ALBB-003607, 2835AF, BBL017806, MFCD08593372, STK482808, ZINC13091789, AKOS000152940, MCULE-3495905972, AJ-63374, TR-053717, ST45173451, 4-[(2-methylpropanoylamino)methyl]benzoic acid, Y-3996, Benzoic acid, 4-[[(2-methyl-1-oxopropyl)amino]methyl]-, C12H15NO3, CHEMBRDG-BB9071245,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.105g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	221.256g/mol
Monoisotopic Mass	221.105g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited