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1119-97-7 molecular structure
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trimethyl(tetradecyl)azanium bromide

ChemBase ID: 103544
Molecular Formular: C17H38BrN
Molecular Mass: 336.39432
Monoisotopic Mass: 335.21876222
SMILES and InChIs

SMILES:
[Br-].CCCCCCCCCCCCCC[N+](C)(C)C
Canonical SMILES:
CCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
InChI:
InChI=1S/C17H38N.BrH/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:
CXRFDZFCGOPDTD-UHFFFAOYSA-M

Cite this record

CBID:103544 http://www.chembase.cn/molecule-103544.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trimethyl(tetradecyl)azanium bromide
IUPAC Traditional name
trimethyl(tetradecyl)azanium bromide
Synonyms
Trimethyl-n-tetradecylammonium bromide
(1-Tetradecyl)trimethylammonium bromide
N,N,N-Trimethyltetradecan-1-aminium bromide
Myristyltrimethylammonium bromide
Myristyltrimethylammonium bromide
Trimethyl(tetradecyl)ammonium bromide
TETRADECYLTRIMETHYL-AMMONIUM BROMIDE
Tetradecyltrimethylammonium bromide
(1-十四烷基)三甲基溴化铵
三甲基(十四烷基)溴化铵
十四烷基三甲基溴化铵
肉豆蔻基三甲基溴化铵
CAS Number
1119-97-7
EC Number
214-291-9
MDL Number
MFCD00011770
Beilstein Number
3633227
Merck Index
146336
PubChem SID
24888730
162090866
24900223
PubChem CID
14250

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)
Solubility
H2O: soluble0.1 g/mL, clear expand Show data source
H2O: soluble10 % (w/v) expand Show data source
Melting Point
245-250 °C(lit.) expand Show data source
245-250°C expand Show data source
245-250°C expand Show data source
Absorption Wavelength
λ: 240 nm Amax: ≤0.08 expand Show data source
λ: 250 nm Amax: ≤0.05 expand Show data source
λ: 260 nm Amax: ≤0.04 expand Show data source
λ: 500 nm Amax: ≤0.02 expand Show data source
Critical Micelle Concentration
4-5 mM(20-25°C) expand Show data source
Aggregation Number of Micelle
80 expand Show data source
Storage Condition
Room Temperature (15-30°C), Desiccate expand Show data source
RTECS
BS5776000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
UN Number
1759 expand Show data source
3263 expand Show data source
UN1759 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
III expand Show data source
Australian Hazchem
2X expand Show data source
Risk Statements
34 expand Show data source
34-51/53 expand Show data source
R:34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
26-36/37/39-45-61 expand Show data source
S:26-27/28-36/37/39-46-64 expand Show data source
EU Classification
C10 expand Show data source
EU Hazard Identification Number
8B expand Show data source
Emergency Response Guidebook(ERG) Number
154 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
H314-H318-H303-H401-H411 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3263 8/PG 2 expand Show data source
Purity
≥98.0% (AT) expand Show data source
≥99% expand Show data source
≥99.0% (AT) expand Show data source
95+% expand Show data source
98% expand Show data source
99% expand Show data source
Grade
for ion pair chromatography expand Show data source
Certificate of Analysis
Download expand Show data source
Suitability
corresponds to standard for filter test expand Show data source
Description
cationic expand Show data source
Mol. Weight
micellar avg mol wt 27,000 expand Show data source
λ
10 % in H2O expand Show data source
Linear Formula
CH3(CH2)13N(Br)(CH3)3 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02152109 external link
Purity: 98%
Phase transfer catalyst.
Sigma Aldrich - T4762 external link
包装
1 kg in poly bottle
5, 100, 250, 500 g in poly bottle
Sigma Aldrich - 860425 external link
Application
Cationic detergent, antiseptic.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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