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PQ 7
CAS: 26590-05-6 | C11H21ClN2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
26590-05-6
Molecular Formula:
C11H21ClN2O
Molecular Weight:
232.755 g/mol
Names and Synonyms:
PQ 7
Synonym
Polyquaternium-7
Synonym
2-Propen-1-aminium, N,N-dimethyl-N-2-propen-1-yl-, chloride (1:1), polymer with 2-propenamide
Synonym
A 2400
Synonym
Ammonium, diallyldimethyl-, chloride, polymer with acrylamide
Synonym
2-Propen-1-aminium, N,N-dimethyl-N-2-propenyl-, chloride, polymer with 2-propenamide
Synonym
Acrylamide, polymer with diallyldimethylammonium chloride
Synonym
2-Propenamide, polymer with N,N-dimethyl-N-2-propenyl-2-propen-1-aminium chloride
Synonym
Dimethyldiallylammonium chloride-acrylamide copolymer
Synonym
Acrylamide-diallyldimethylammonium chloride copolymer
Synonym
Acrylamide-diallyldimethylammonium chloride polymer
Synonym
Diallyldimethylammonium chloride-acrylamide copolymer
Synonym
Acrylamide-dimethyldiallylammonium chloride polymer
Synonym
WT 2640
Synonym
WT 2860
Synonym
Merquat 550
Synonym
Merquat 500
Synonym
E 949
Synonym
Hydraid 777
Synonym
WT 2575
Synonym
WT 5504
Synonym
Polyquaternium 7
Synonym
Merquat S
Synonym
PAS-J 11
Synonym
PAS-J 41
Synonym
Quaternium 41
Synonym
XB 54-15-1
Synonym
Merquat 2200
Synonym
Betz 2651
Synonym
Kayacryl M-N
Synonym
Kayacryl Resin M-N
Synonym
PAS-J 81
Synonym
Mack K 007
Synonym
Lipoflow MN
Synonym
Poly(acrylamide-dimethyldiallylammonium chloride)
Synonym
Agequat C 3204
Synonym
CV 5380
Synonym
Mirapol 550
Synonym
XQ 550
Synonym
Agequat 500
Synonym
Agequat 5008
Synonym
ME Polymer 09W
Synonym
Salcare SC 10
Synonym
Acrylamide-DADMAC copolymer
Synonym
Merquat 550L
Synonym
Nalco 1470
Synonym
ECCat 777
Synonym
Kayacryl EC 315
Synonym
PDMDAAC-AM
Synonym
Mackernium 007
Synonym
Mackernium 007S
Synonym
Salcare Super 7
Synonym
Kayacryl MN 50
Synonym
DR 300
Synonym
Kayacryl Resin M 50
Synonym
Kayacryl M 50
Synonym
Acrylamide-dimethyldiallylammonium chloride copolymer
Synonym
N 8105
Synonym
Nalco 7527
Synonym
N 7527
Synonym
Unisence FCA 100L
Synonym
FCA 100L
Synonym
Aquaserv AQ 365
Synonym
Conditioneze 7
Synonym
Bufloc 5555
Synonym
ME Polymer DAM 3000
Synonym
PAS-J 81L
Synonym
D 6080
Synonym
D 6030
Synonym
D 6060
Synonym
Flocare C 107
Synonym
Salcare SC 11
Synonym
D 6070
Synonym
D 6020
Synonym
D 6010
Synonym
CHP 775
Synonym
Rheocare CC 7
Synonym
Merquat 740
Synonym
Conditioner P 7
Synonym
Merquat 2220
Synonym
Unisence FCA 1000L
Synonym
A 2400 (flocculant)
Synonym
Himax SC 100
Synonym
Ultimer CG 600
Synonym
Merquat 550PR
Synonym
Acrylamide-N,N-diallyl-N,N-dimethylammonium chloride copolymer
Synonym
Kayacryl M 50A
Synonym
Kayacryl Resin M 50A
Synonym
FR 48
Synonym
Himax SC 103
Synonym
Ultimer 1460
Synonym
Nalco 8190
Synonym
Mirapol 550P
Synonym
Cosmuat VH
Synonym
Merquat 550JL5
Synonym
Poly(acrylamide-diallydimethyl ammonium chloride)
Synonym
Polyquart SD 09
Synonym
Merquat 7SPR
Synonym
Nalco 61755
Synonym
Poly(acrylamide-diallyldimethylammonium chloride)
Synonym
Cosmuat VH-VHL
Synonym
Acrylamide diallydimethylammonium chloride copolymer
Synonym
HP 117A
Synonym
FC 701
Synonym
Identifiers:
SMILES:
C=CC(=N)[O-].C=CC[N+](C)(C)CC=C.Cl
InChI:
InChI=1S/C8H16N.C3H5NO.ClH/c1-5-7-9(3,4)8-6-2;1-2-3(4)5;/h5-6H,1-2,7-8H2,3-4H3;2H,1H2,(H2,4,5);1H/q+1;;/p-1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 232.76 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Polyquaternium-7 None | Legacy Database |
| cas-canonical-smile | [Cl-].O=C(N)C=C.C=CC[N+](C)(C)CC=C None | Legacy Database |
| cas-inchi | InChI=1S/C8H16N.C3H5NO.ClH/c1-5-7-9(3,4)8-6-2;1-2-3(4)5;/h5-6H,1-2,7-8H2,3-4H3;2H,1H2,(H2,4,5);1H/q+1;;/p-1 None | Legacy Database |
| cas-inchi-key | InChIKey=XFOSBZOUUACCCN-UHFFFAOYSA-M None | Legacy Database |
| cas-name | Acrylamide-diallyldimethylammonium chloride copolymer None | Legacy Database |
| wikipedia-name | Polyquaternium-7 None | Legacy Database |
| LogP | 1.3665699999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 232.755 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 232.134240972 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 15 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 46.91 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 67.40810000000002 | RDKit |