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Didecyldimethylammonium Chloride
CAS: 7173-51-5 | C22H48ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7173-51-5
Molecular Formula:
C22H48ClN
Molecular Weight:
362.0860000000001 g/mol
Names and Synonyms:
Didecyldimethylammonium Chloride
2DB 500E
Catiogen DDM-PG
1-Decanaminium, N-decyl-N,N-dimethyl-, chloride (1:1)
Stenquat 1010
Asepas 3
Acticide DDQ
Arquad 210-85E
Nissan Cation 2DB500E
K-Sanit BP 80
Bardac 2240
KleenGrow
Cation DDC 50
Acticide DDQ 40
M 21080
Acticide
Microbiocide N 750
N,N-Didecyl-N,N-dimethylammonium chloride
Septapav KhS 70
New Des 50
Cation DDC 80
Nissan Cation 2DB800E
Fentacare 1021-80
Bardac 2270ETM
Bardac 50
Lipoquad 210-80E
Bardac 2250R
Bardac 2280R
BTC 1010E
Bardac 2280G
Maquat 4450T
Bardac 2250J
Arquad 210-70HFP
Uniquat 2240
Di-n-decyl-dimethylammonium chloride
DDAC 80
Ammonium, didecyldimethyl-, chloride
Didecyldimethylammonium chloride
1-Decanaminium, N-decyl-N,N-dimethyl-, chloride
Dimethyldidecylammonium chloride
Bardac 22
Quaternium 12
BTC 1010
Querton 210CL
Dodigen 1881
Arquad 10
Tret-O-Lite XC 507
Bardac 2250
Bardac 2280
Nissan Cation 2DB
Calgon H 130
Astop
Bio-Dac
Arquad 210-50
Bardac 2270E
H 130
H 130 (molluscicide)
DDAC
DDC 80
Timbercote 2000
Slaoff 91
Britewood Q
BTC 99
Didecyldimethylammounium chloride
Maquat 4480E
Quartamin D 10E
Quartamin D 10P
D 10P
Cation DDC
BTC 2250
Britewood XL
Catiogen DDM
Arquad 210-50E
AQ 210
Microbiocide B 74
Arquad 210
Arquad 210-80E
Kamin RM 2D50A
Macrotrol MT 200
Sporekill
Arquad 210-80
Identifiers:
SMILES:
CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Cl-]
InChI:
InChI=1S/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;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 | 362.09 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Didecyldimethylammonium_chloride None | Legacy Database |
| cas-canonical-smile | [Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC None | Legacy Database |
| cas-inchi | InChI=1S/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1 None | Legacy Database |
| cas-inchi-key | InChIKey=RUPBZQFQVRMKDG-UHFFFAOYSA-M None | Legacy Database |
| cas-melting-point | 88 °C None | Legacy Database |
| cas-name | Didecyldimethylammonium chloride None | Legacy Database |
| wikipedia-name | Didecyldimethylammonium chloride None | Legacy Database |
| LogP | 4.348200000000004 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 362.0860000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 361.347528216 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 24 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 18 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 107.06240000000011 | RDKit |
