2,2'-[(3,5-Diamino-2,6-pyridinediyl)bis(oxy)]bisethanol Dihydrochloride - CAS 85679-72-7

Catalog:	BB068231
Product Name:	2,2'-[(3,5-Diamino-2,6-pyridinediyl)bis(oxy)]bisethanol Dihydrochloride
CAS:	85679-72-7
Synonyms:	2,6-Bis(2-hydroxyethoxy)-3,5-pyridinediamine HCl; 2,6-Bis(2-hydroxyethoxy)-3,5-pyridinediamine HCl [INCI]; Ethanol, 2,2'-((3,5-diamino-2,6-pyridinediyl)bis(oxy))bis-, dihydrochloride; 2,2'-[(3,5-Diamino-2,6-pyridinediyl)bis(oxy)]bisethanol Dihydrochloride; 2-[3,5-diamino-6-(2-hydroxyethoxy)pyridin-2-yl]oxyethanol; dihydrochloride; 2,2'-((3,5-Diaminopyridine-2,6-diyl)bis(oxy))bis(ethan-1-ol) dihydrochloride

Technical Data

IUPAC Name:	2-[3,5-diamino-6-(2-hydroxyethoxy)pyridin-2-yl]oxyethanoldihydrochloride
Description:	2,2'-[(3,5-Diamino-2,6-pyridinediyl)bis(oxy)]bisethanol dihydrochloride is a chemical used as a coupler in hair dye compositions.
Molecular Weight:	302.15
Molecular Formula:	C9H17Cl2N3O4
Canonical SMILES:	C1=C(C(=NC(=C1N)OCCO)OCCO)N.Cl.Cl
InChI:	InChI=1S/C9H15N3O4.2ClH/c10-6-5-7(11)9(16-4-2-14)12-8(6)15-3-1-13/h5,13-14H,1-4,10-11H22*1H
InChI Key:	FJBDSKXBGFNFIG-UHFFFAOYSA-N
References:	Clausen, T. 3,5-Diaminopyridines As Couplers In Hair Dye Compositions. Ger. Offen. 3132885. Mar 3, 1983..

Complexity:	178
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	301.0596114
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	6
Isotope Atom Count:	0
Monoisotopic Mass:	301.0596114
Rotatable Bond Count:	6
Topological Polar Surface Area:	124Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0