AG00DCSB

Name: N-(4-methylbenzoyl)-beta-alanine
Brand: Angene Chemical
SKU: AG00DCSB

446828-78-0 | N-(4-methylbenzoyl)-beta-alanine

AG00DCSB

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CAS Number	446828-78-0
Catalog Number	AG00DCSB(AGN-PC-0WB3Q7)
Chemical Name	N-(4-methylbenzoyl)-beta-alanine
IUPAC Name	3-[(4-methylbenzoyl)amino]propanoic acid
InChI	InChI=1S/C11H13NO3/c1-8-2-4-9(5-3-8)11(15)12-7-6-10(13)14/h2-5H,6-7H2,1H3,(H,12,15)(H,13,14)
InChI Key	MGMCLJIRNXMSQX-UHFFFAOYSA-N
MDL Number	MFCD03011461
Molecular Formula	C11H13NO3
Molecular Weight	207.2258
SMILES	C(NCCC(O)=O)(=O)C1C=CC(=CC=1)C
Synonyms	N-(4-methylbenzoyl)-beta-alanine, 446828-78-0, 3-(4-Methylbenzamido)propanoic acid, 3-[(4-methylphenyl)carbonylamino]propanoic acid, 3-[(4-methylbenzoyl)amino]propanoic Acid, Oprea1_146668, SCHEMBL279993, CTK4I8388, DTXSID60475154, MFCD03011461, SBB045984, STK980589, ZINC11891648, AKOS000127396, MCULE-2185527787, AJ-60406, N-[(4-methylphenyl)carbonyl]-beta-alanine, 3-[(4-methylphenyl)formamido]propanoic acid, ST45240606, W-9958, AS-871/41745303, A1-05996, Z85914376, N- -beta-alanine, CID11983473,

Complexity	232
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.09g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	207.229g/mol
Monoisotopic Mass	207.09g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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