AG00IBUD

Name: Benzoic acid, 3-amino-4-[(phenylmethyl)amino]-, methyl ester
Brand: Angene Chemical
SKU: AG00IBUD

68502-22-7 | Benzoic acid, 3-amino-4-[(phenylmethyl)amino]-, methyl ester

AG00IBUD

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CAS Number	68502-22-7
Catalog Number	AG00IBUD(AGN-PC-00PS25)
Chemical Name	Benzoic acid, 3-amino-4-[(phenylmethyl)amino]-, methyl ester
IUPAC Name	methyl 3-amino-4-(benzylamino)benzoate
InChI	InChI=1S/C15H16N2O2/c1-19-15(18)12-7-8-14(13(16)9-12)17-10-11-5-3-2-4-6-11/h2-9,17H,10,16H2,1H3
InChI Key	RZAUGKWLMDWWIX-UHFFFAOYSA-N
MDL Number	MFCD13343839
Molecular Formula	C15H16N2O2
Molecular Weight	256.2997
SMILES	COC(=O)c1ccc(NCc2ccccc2)c(N)c1
Synonyms	methyl 3-amino-4-(benzylamino)benzoate, 68502-22-7, SCHEMBL15687652, AC1Q4317, ZINC21782429, AKOS001855729, MCULE-6533176201, SY031104, Z6593, MFCD13343839 (95%), Benzoic acid, 3-amino-4-[(phenylmethyl)amino]-, methyl ester, C15H16N2O2, 3-amino-4-benzylamine-benzoic acid methyl ester, 1031667-78-3,

Complexity	290
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.121g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	256.305g/mol
Monoisotopic Mass	256.121g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	64.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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