AG003RQ3

36692-49-6 | Methyl 3,4-diaminobenzoate

AG003RQ3

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CAS Number	36692-49-6
Catalog Number	AG003RQ3(AGN-PC-0JMOAN)
Chemical Name	Methyl 3,4-diaminobenzoate
IUPAC Name	methyl 3,4-diaminobenzoate
InChI	InChI=1S/C8H10N2O2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,9-10H2,1H3
InChI Key	IOPLHGOSNCJOOO-UHFFFAOYSA-N
MDL Number	MFCD00017098
Molecular Formula	C8H10N2O2
Molecular Weight	166.1772
SMILES	C1=C(C(OC)=O)C=CC(=C1N)N
Synonyms	Methyl 3,4-diaminobenzoate, 36692-49-6, 3,4-diaminobenzoic acid methyl ester, Methyl3,4-diaminobenzoate, methyl-3,4-diaminobenzoate, benzoic acid, 3,4-diamino-, methyl ester, 3,4-Diamino-benzoic acid methyl ester, IOPLHGOSNCJOOO-UHFFFAOYSA-N, methyl 3,4-diaminobenzenecarboxylate, MFCD00017098, PubChem4610, ACMC-1BN7S, AC1Q5Z5N, methyl 3,4-diamino-benzoate, Methyl-3,4-diamino-benzoate, KSC225A0J, SCHEMBL192100, AC1L36L2, CTK1C5004, DTXSID00190137, BUTTPARK 96\50-24, ZINC162633, Methyl 3,4-diaminobenzoate, 97%, AC1Q4315, ACT11992, BCP15323, KS-00000LV7, STR06147, 4-methoxycarbonyl-o-phenylene-diamine, ANW-50353, BBL011055, CM-812, SBB053760, STK802229, 4-methoxycarbonyl-1,2-benzenediamine, AKOS003273126, 4-methoxycarbonyl-1,2-phenylenediamine, AC-3944, AN-6484, AS01842, CS-W007431, MCULE-9008036656, RP22913, RTR-014986, TRA0039428, VZ32563, WT82222, 4-(Methoxycarbonyl)benzene-1,2-diamine, 4-(Methoxycarbonyl)phenylene-1,2-diamine, AJ-15924, AK-49131, BP-10003, BR-49131, CJ-02046, S370, SC-03878, ZB007854, AB0018599, DB-007658, ST2419534, TR-014986, 4CH-014363, AM20060203, FT-0600545, M2346, ST50824892, A19987, C-4904, 80492-EP2295432A1, 80492-EP2298758A1, 80492-EP2298759A1, 80492-EP2305250A1, 80492-EP2305664A1, 1,2-diaminobenzene-4-carboxylic acid methyl ester, 692M496, 10X-0878, I01-4812, J-522665, F8882-4701, 3,5-Diamino-2-methylbenzoic acid, C8H10N2O2, AR-1J5006, CID135524, ZINC00162633, Methyl 3,4-diaminobenzoate, 98% 5g, Methyl 3,4-diaminobenzoate, 97.5% - 1G 1g, 38222-85-4,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.074g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	166.18g/mol
Monoisotopic Mass	166.074g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	78.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number