AG003IRA

538372-37-1 | Methyl 3,4-diamino-2-methoxybenzoate

AG003IRA

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CAS Number	538372-37-1
Catalog Number	AG003IRA(AGN-PC-0NHS3A)
Chemical Name	Methyl 3,4-diamino-2-methoxybenzoate
IUPAC Name	methyl 3,4-diamino-2-methoxybenzoate
InChI	InChI=1S/C9H12N2O3/c1-13-8-5(9(12)14-2)3-4-6(10)7(8)11/h3-4H,10-11H2,1-2H3
InChI Key	RWEQERJJDQFUDV-UHFFFAOYSA-N
MDL Number	MFCD18970771
Molecular Formula	C9H12N2O3
Molecular Weight	196.2032
SMILES	O=C(OC)C1=CC=C(N)C(N)=C1OC
Synonyms	Methyl 3,4-diamino-2-methoxybenzoate, 538372-37-1, 3.4-DIAMINO-2-METHOXY-BENZOIC ACID METHYL ESTER, AK141357, Benzoic acid, 3,4-diamino-2-methoxy-, methyl ester (9CI), Benzoic acid, 3,4-diamino-2-methoxy-, methyl ester, SCHEMBL5553956, CTK1G7815, DTXSID40477515, KS-000000QQ, MFCD18970771, ZINC39084208, AKOS022173248, DS-7266, FCH1052507, TRA0051686, AJ-98099, SC-70329, AX8265173, 4CH-003594, CS-0061932, ST24047745, 3,4-Diamino-2-methoxy-benzoic Acid Methyl Ester, ACN-048594, Benzoicacid,3,4-diamino-2-methoxy-,methylester,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.085g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	196.206g/mol
Monoisotopic Mass	196.085g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	87.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number