AG01DLMS

Name: ethyl 4-{[(pyrimidin-5-yl)methyl]amino}benzoate
Brand: Angene Chemical
SKU: AG01DLMS

1255716-72-3 | ethyl 4-{[(pyrimidin-5-yl)methyl]amino}benzoate

AG01DLMS

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CAS Number	1255716-72-3
Catalog Number	AG01DLMS
Chemical Name	ethyl 4-{[(pyrimidin-5-yl)methyl]amino}benzoate
IUPAC Name	ethyl 4-(pyrimidin-5-ylmethylamino)benzoate
InChI	InChI=1S/C14H15N3O2/c1-2-19-14(18)12-3-5-13(6-4-12)17-9-11-7-15-10-16-8-11/h3-8,10,17H,2,9H2,1H3
InChI Key	XGEZVHGNVYQIAL-UHFFFAOYSA-N
MDL Number	MFCD17383168
Molecular Formula	C14H15N3O2
Molecular Weight	257.2878
SMILES	CCOC(=O)c1ccc(NCc2cncnc2)cc1
Synonyms	1255716-72-3, Ethyl 4-((pyrimidin-5-ylmethyl)amino)benzoate, 4-[(pyrimidin-5-ylmethyl)-amino]-benzoic acid ethyl ester, MFCD17383168, ZINC54767220, AKOS006121928, ethyl 4-(pyrimidin-5-ylmethylamino)benzoate, CS-0059790, Benzoic acid,4-[(5-pyrimidinylmethyl)amino]-,ethyl ester,

Complexity	272
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.116g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	257.293g/mol
Monoisotopic Mass	257.116g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	64.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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