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10052-47-8 molecular structure
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triethyl(methyl)azanium chloride

ChemBase ID: 146885
Molecular Formular: C7H18ClN
Molecular Mass: 151.67752
Monoisotopic Mass: 151.11277726
SMILES and InChIs

SMILES:
CC[N+](C)(CC)CC.[Cl-]
Canonical SMILES:
CC[N+](CC)(CC)C.[Cl-]
InChI:
InChI=1S/C7H18N.ClH/c1-5-8(4,6-2)7-3;/h5-7H2,1-4H3;1H/q+1;/p-1
InChIKey:
NIUZJTWSUGSWJI-UHFFFAOYSA-M

Cite this record

CBID:146885 http://www.chembase.cn/molecule-146885.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
triethyl(methyl)azanium chloride
IUPAC Traditional name
triethyl(methyl)azanium chloride
Synonyms
Methyltriethylammonium chloride
Triethylmethylammonium chloride
N,N-Diethyl-N-methylethanaminium chloride
甲基三乙基氯化铵
三乙基甲基氯化铵
CAS Number
10052-47-8
MDL Number
MFCD00059972
Beilstein Number
3912434
PubChem SID
162241077
24867441
PubChem CID
82326

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.9017432  LogD (pH = 7.4) -2.9017432 
Log P -2.9017432  Molar Refractivity 50.1475 cm3
Polarizability 15.112125 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)
Apperance
Powder expand Show data source
Melting Point
282-284 °C(lit.) expand Show data source
282-284°C 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
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
26-36 expand Show data source
TSCA Listed
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
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥97.0% (calc. based on dry substance, AT) expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Impurities
≤10% water expand Show data source
Linear Formula
(C2H5)3N(Cl)CH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 438278 external link
Packaging
250 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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