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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.

External Resources

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

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