AG001AXV

13940-96-0 | 3,4-Diamino diphenyl ether

AG001AXV

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CAS Number	13940-96-0
Catalog Number	AG001AXV(AGN-PC-0N8AI9)
Chemical Name	3,4-Diamino diphenyl ether
IUPAC Name	4-phenoxybenzene-1,2-diamine
InChI	InChI=1S/C12H12N2O/c13-11-7-6-10(8-12(11)14)15-9-4-2-1-3-5-9/h1-8H,13-14H2
InChI Key	FJVIHKKXPLPDSV-UHFFFAOYSA-N
MDL Number	MFCD09038592
Molecular Formula	C12H12N2O
Molecular Weight	200.2365
SMILES	NC1=C(N)C=C(OC2=CC=CC=C2)C=C1
Synonyms	4-phenoxybenzene-1,2-diamine, 13940-96-0, 3,4-Diaminodiphenyl ether, 3,4-DIAMINO DIPHENYL ETHER, 4-phenoxy-1,2-phenylenediamine, AK103562, 3,4-Diamino diphenylether, SCHEMBL721616, 1,2-diamino-4-phenoxybenzene, 4-Phenoxy-1,2-benzenediamine, 1,2-diamino-4-phenyloxybenzene, KS-00000QDC, DTXSID50443044, 1,2-Benzenediamine, 4-phenoxy-, FJVIHKKXPLPDSV-UHFFFAOYSA-N, ANW-64682, MFCD09038592, ZINC39149142, AKOS005292225, CS-W005747, DS-2511, AJ-98775, BC600201, SC-16342, SC-34382, AX8235101, TC-153427, 4CH-011958, ST24023637, Z4145, 5-FLUORO-2-BENZOTHIAZOLECARBOXYLIC ACID, M-9188, 657D876, I14-36185, 3,4'-Oxydianiline, C12H12N2O, CID10655643, 139425-47-1, 2657-87-6,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.095g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	200.241g/mol
Monoisotopic Mass	200.095g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	61.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number