Back to Search
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
Polyquaternium-7
2-Propen-1-aminium, N,N-dimethyl-N-2-propen-1-yl-, chloride (1:1), polymer with 2-propenamide
A 2400
Ammonium, diallyldimethyl-, chloride, polymer with acrylamide
2-Propen-1-aminium, N,N-dimethyl-N-2-propenyl-, chloride, polymer with 2-propenamide
Acrylamide, polymer with diallyldimethylammonium chloride
2-Propenamide, polymer with N,N-dimethyl-N-2-propenyl-2-propen-1-aminium chloride
Dimethyldiallylammonium chloride-acrylamide copolymer
Acrylamide-diallyldimethylammonium chloride copolymer
Acrylamide-diallyldimethylammonium chloride polymer
Diallyldimethylammonium chloride-acrylamide copolymer
Acrylamide-dimethyldiallylammonium chloride polymer
WT 2640
WT 2860
Merquat 550
Merquat 500
E 949
Hydraid 777
WT 2575
WT 5504
Polyquaternium 7
Merquat S
PAS-J 11
PAS-J 41
Quaternium 41
XB 54-15-1
Merquat 2200
Betz 2651
Kayacryl M-N
Kayacryl Resin M-N
PAS-J 81
Mack K 007
Lipoflow MN
Poly(acrylamide-dimethyldiallylammonium chloride)
Agequat C 3204
CV 5380
Mirapol 550
XQ 550
Agequat 500
Agequat 5008
ME Polymer 09W
Salcare SC 10
Acrylamide-DADMAC copolymer
Merquat 550L
Nalco 1470
ECCat 777
Kayacryl EC 315
PDMDAAC-AM
Mackernium 007
Mackernium 007S
Salcare Super 7
Kayacryl MN 50
DR 300
Kayacryl Resin M 50
Kayacryl M 50
Acrylamide-dimethyldiallylammonium chloride copolymer
N 8105
Nalco 7527
N 7527
Unisence FCA 100L
FCA 100L
Aquaserv AQ 365
Conditioneze 7
Bufloc 5555
ME Polymer DAM 3000
PAS-J 81L
D 6080
D 6030
D 6060
Flocare C 107
Salcare SC 11
D 6070
D 6020
D 6010
CHP 775
Rheocare CC 7
Merquat 740
Conditioner P 7
Merquat 2220
Unisence FCA 1000L
A 2400 (flocculant)
Himax SC 100
Ultimer CG 600
Merquat 550PR
Acrylamide-N,N-diallyl-N,N-dimethylammonium chloride copolymer
Kayacryl M 50A
Kayacryl Resin M 50A
FR 48
Himax SC 103
Ultimer 1460
Nalco 8190
Mirapol 550P
Cosmuat VH
Merquat 550JL5
Poly(acrylamide-diallydimethyl ammonium chloride)
Polyquart SD 09
Merquat 7SPR
Nalco 61755
Poly(acrylamide-diallyldimethylammonium chloride)
Cosmuat VH-VHL
Acrylamide diallydimethylammonium chloride copolymer
HP 117A
FC 701
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 |
