AG00EIDW

616224-38-5 | Methyl 4-amino-3-(methylamino)benzoate

AG00EIDW

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CAS Number	616224-38-5
Catalog Number	AG00EIDW(AGN-PC-0BYB7P)
Chemical Name	Methyl 4-amino-3-(methylamino)benzoate
IUPAC Name	methyl 4-amino-3-(methylamino)benzoate
InChI	InChI=1S/C9H12N2O2/c1-11-8-5-6(9(12)13-2)3-4-7(8)10/h3-5,11H,10H2,1-2H3
InChI Key	VWGIBJGZLCERFV-UHFFFAOYSA-N
MDL Number	MFCD15144544
Molecular Formula	C9H12N2O2
Molecular Weight	180.2038
SMILES	O=C(OC)C1=CC=C(N)C(NC)=C1
Synonyms	Methyl 4-amino-3-(methylamino)benzoate, 616224-38-5, Benzoic acid, 4-amino-3-(methylamino)-, methyl ester, SCHEMBL222734, CTK8B9068, DTXSID10728066, VWGIBJGZLCERFV-UHFFFAOYSA-N, ANW-61935, KM0531, MFCD15144544, ZINC82049860, AKOS016004956, MCULE-8298385714, AK-47049, CJ-22068, DS-14193, AJ-125031, TC-150680, V6914, 4-amino-3-methylaminobenzoic acid methyl ester, 4-amino-3-methylamino-benzoic acid methyl ester, Benzoicacid,4-amino-3-(methylamino)-,methylester, Z1821517389, C9H12N2O2, Methyl4-amino-3-(methylamino)benzoate,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.09g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	180.207g/mol
Monoisotopic Mass	180.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	64.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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