Polyquaternium 1

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CAS Number

75345-27-6

Synonyms

?-[4-[Tris (2-hydroxyethyl) ammonio]-2-buten-1-yl]-?-[tris (2-hydroxyethyl) ammonio]poly[ (dimethyliminio) -2-butene-1,4-diyl Chloride] Chloride; Onamer M; Onyxsperse 12S; Polidronium Chloride; Polyquad; Polyquat 1

Molecular Formula

C22H48N3O6[C6H12N . Cl]n . 3Cl

Molecular Weight

450.64[98.17 35.45]n 3x35.45

API Name

Polyquaternium

Chemical Information

Polyquaternium 1

Polidronium chloride is a quaternary ammonium salt.

CAS Number	75345-27-6
PubChem CID	5282453
IUPAC Name	dimethyl-bis[(E)-4-[tris(2-hydroxyethyl)azaniumyl]but-2-enyl]azanium trichloride
Molecular Formula	C22H48Cl3N3O6
Molecular Weight	557.0
Topological Polar Surface Area	121
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	20
Heavy Atom Count	34
Formal Charge	0
Complexity	424

SMILES

C[N+](C/C=C/C[N+](CCO)(CCO)CCO)(C/C=C/C[N+](CCO)(CCO)CCO)C.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C22H48N3O6.3ClH/c1-23(2,7-3-5-9-24(11-17-26,12-18-27)13-19-28)8-4-6-10-25(14-20-29,15-21-30)16-22-31;;;/h3-6,26-31H,7-22H2,1-2H3;3*1H/q+3;;;/p-3/b5-3+,6-4+;;;

InChIKey

OTIWYSKRSMXGNK-VHJGTCNUSA-K

Chemical Structure

2D Structure

CAS: 75345-27-6

CID: 5282453

Formula: C22H48Cl3N3O6

MW: 557.0

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	557.0
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	20
Exact Mass	555.260869
Monoisotopic Mass	555.260869
Topological Polar Surface Area	121 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	424
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	4
Compound Is Canonicalized	Yes

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Polyquaternium 1

Chemical Information

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