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4574-04-3 molecular structure
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trimethyl(tetradecyl)azanium chloride

ChemBase ID: 152619
Molecular Formular: C17H38ClN
Molecular Mass: 291.94332
Monoisotopic Mass: 291.2692779
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
Canonical SMILES:
CCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
InChI:
InChI=1S/C17H38N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1
InChIKey:
CEYYIKYYFSTQRU-UHFFFAOYSA-M

Cite this record

CBID:152619 http://www.chembase.cn/molecule-152619.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trimethyl(tetradecyl)azanium chloride
IUPAC Traditional name
trimethyl(tetradecyl)azanium chloride
Synonyms
Tetradecyltrimethylammonium chloride
Trimethyl-tetradecylammonium chloride
Myristyltrimethylammonium chloride
Trimethyl-n-tetradecylammonium chloride
(1-Tetradecyl)trimethylammonium chloride
N,N,N-Trimethyltetradecan-1-aminium chloride
三甲基十四烷基氯化铵
十四烷基三甲基氯化铵
(1-十四烷基)三甲基氯化铵
CAS Number
4574-04-3
EC Number
224-958-6
MDL Number
MFCD00059968
Beilstein Number
3916572
PubChem SID
162246763
24888731
PubChem CID
20708

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 20708 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7974185  LogD (pH = 7.4) 1.7974185 
Log P 1.7974185  Molar Refractivity 95.7853 cm3
Polarizability 33.581413 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 13  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
~250 °C (dec.) expand Show data source
Storage Warning
Hygroscopic expand Show data source
RTECS
XB7985000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
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
26-36 expand Show data source
26-37 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
≥98.0% (AT) expand Show data source
95+% expand Show data source
98% expand Show data source
Linear Formula
CH3(CH2)13N(Cl)(CH3)3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 87212 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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