4,4'-Diaminodiphenylamine Sulfate Hydrate

Catalog:	BB068235
Product Name:	4,4'-Diaminodiphenylamine Sulfate Hydrate
Synonyms:	N1-(4-Aminophenyl)-1,4-benzenediamine Sulfate Hydrate; p,p'-Diaminodiphenylamine Sulfate Hydrate; N-(4-Aminophenyl)-1,4-benzenediamine Sulfate Hydrate

Technical Data

IUPAC Name:	4-N-(4-aminophenyl)benzene-1,4-diaminesulfuric acidhydrate
Description:	A compound used in anti-corrosive coating material for the prevention of corrosion in metals.
Molecular Weight:	297.33 (anhydrous basis)
Molecular Formula:	C12H13N3·H2SO4·xH2O
Canonical SMILES:	C1=CC(=CC=C1N)NC2=CC=C(C=C2)N.O.OS(=O)(=O)O
InChI:	InChI=1S/C12H13N3.H2O4S.H2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-121-5(2,3)4/h1-8,15H,13-14H2(H2,1,2,3,4)1H2
InChI Key:	UYXSZRUMZNDZKD-UHFFFAOYSA-N
Melting Point:	>200°C (dec.)
Solubility:	DMSO
Appearance:	Off-White Solid
Storage:	4°C
References:	Weng, C. et al. Chem. Mat., 22, 2075 (2011).

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	315.08889182
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	6
Isotope Atom Count:	0
Monoisotopic Mass:	315.08889182
Rotatable Bond Count:	2
Topological Polar Surface Area:	148Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0