Structure of Polyquaternium-2 CAS 68555-36-2

Iden­ti­fi­ca­tion

CAS Number

68555-36-2

Name

Polyquater­ni­um-2

Syn­onyms

1,3-Bis[3-(dimethylamino)propyl]harnstoff –1-chlor-2-(2-chlorethoxy)ethan (1:1) [Ger­man] [ACD/IUPAC Name]
1,3-Bis[3-(dimethylamino)propyl]urea – 1-chloro-2-(2-chloroethoxy)ethane (1:1) [ACD/IUPAC Name]
1,3-Bis[3-(diméthylamino)propyl]urée – 1-chloro-2-(2-chloroéthoxy)éthane (1:1) [French] [ACD/IUPAC Name]
68555-36-2 [RN]
Polyquater­ni­um-2

SMILES

CN(C)CCC­NC(=O)NCC­CN(C)C.ClCCOCCCl

Std­InChI

InChI=1S/C11H26N4O.C4H8Cl2O/c1-14(2)9-5-7-12-11(16)13-8-6-10-15(3)4;5-1-3-7-4-2-6/h5-10H2,1-4H3,(H2,12,13,16);1-4H2

Std­InChIKey

VDK­AG­BG­PQBZUIP-UHF­F­­FAOYSA-N

Mol­e­c­u­lar Formula

C15H34Cl2N4O2

Mol­e­c­u­lar Weight

373.362

MDL Number

MFCD00284238

Prop­er­ties

Appear­ance

Slight­ly yel­low to yel­low vis­cous liquid

Safe­ty Data

Per­son­al Pro­tec­tive Equipment

dust mask type N95 (US), Eye­shields, Gloves

RIDADR 

NONH for all modes of transport

WGK Germany

3

Spec­i­fi­ca­tions and Oth­er Infor­ma­tion of Our Polyquater­ni­um-2 CAS 68555-36-2

Iden­ti­fi­ca­tion Methods

HNMR, HPLC

Puri­ty

98% min

Shelf Life

2 years

Stor­age

Under room tem­per­a­ture away from light

Pro­duc­tiv­i­ty

1MT/​month

Known Appli­ca­tion

Lig­and used in a syn­the­sis of het­e­ro­cy­cles by pal­la­di­um-cat­­a­lyzed C-N cross cou­pling of 3-bro­­moth­­io­phenes with 2-aminopy­­ridines. Also used in a ruthe­ni­um-cat­­a­lyzed alky­la­tion of active meth­yl­ene com­pounds with alco­hols. Met­al chelat­ing lig­and for catalysis.

This prod­uct is devel­oped by our R&D com­pa­ny Warshel Chem­i­cal Ltd (https://​www​.warshel​.com/).

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