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7398-69-8 molecular structure
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dimethylbis(prop-2-en-1-yl)azanium chloride

ChemBase ID: 151166
Molecular Formular: C8H16ClN
Molecular Mass: 161.67234
Monoisotopic Mass: 161.0971272
SMILES and InChIs

SMILES:
C[N+](C)(CC=C)CC=C.[Cl-]
Canonical SMILES:
C=CC[N+](CC=C)(C)C.[Cl-]
InChI:
InChI=1S/C8H16N.ClH/c1-5-7-9(3,4)8-6-2;/h5-6H,1-2,7-8H2,3-4H3;1H/q+1;/p-1
InChIKey:
GQOKIYDTHHZSCJ-UHFFFAOYSA-M

Cite this record

CBID:151166 http://www.chembase.cn/molecule-151166.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethylbis(prop-2-en-1-yl)azanium chloride
IUPAC Traditional name
dimethylbis(prop-2-en-1-yl)azanium chloride
Synonyms
Dimethyldiallylammonium chloride
Diallyldimethylammonium chloride solution
Diallyldimethylammonium chloride
N-Allyl-N,N-dimethylprop-2-en-1-aminium chloride
二甲基二烯丙基氯化铵
二烯丙基二甲基氯化铵 溶液
二烯丙基二甲基氯化铵
CAS Number
7398-69-8
EC Number
230-993-8
MDL Number
MFCD00043200
Beilstein Number
5830817
PubChem SID
24861560
24859550
24859553
162245323
PubChem CID
33286

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 33286 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.5096674  LogD (pH = 7.4) -2.5096674 
Log P -2.5096674  Molar Refractivity 54.2271 cm3
Polarizability 16.496933 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
140-148 °C expand Show data source
Refractive Index
n20/D 1.460 expand Show data source
RTECS
UC6660000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥97.0% (AT) expand Show data source
95+% expand Show data source
Concentration
~65% in H2O (AT) expand Show data source
65 wt. % in H2O expand Show data source
Grade
purum expand Show data source
Impurities
~3% polymeric components expand Show data source
Linear Formula
(CH2=CHCH2)2N(Cl)(CH3)2 expand Show data source
[(CH3)2N+(CH2CH=CH2)2]Cl- expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 348279 external link
Packaging
1, 3 L in poly bottle
Sigma Aldrich - 32598 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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