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102-87-4 molecular structure
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tridodecylamine

ChemBase ID: 104740
Molecular Formular: C36H75N
Molecular Mass: 521.9874
Monoisotopic Mass: 521.58995141
SMILES and InChIs

SMILES:
CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC
InChI:
InChI=1S/C36H75N/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3
InChIKey:
SWZDQOUHBYYPJD-UHFFFAOYSA-N

Cite this record

CBID:104740 http://www.chembase.cn/molecule-104740.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tridodecylamine
IUPAC Traditional name
tridodecylamine
Synonyms
TRIDODECYLAMINE TECHNICAL GRADE
Proton ionophore I
Tridodecylamine
Hydrogen ionophore I
Hydrogen ionophore I
Tridodecylamine
TRIDODECYLAMINE
Tri-n-dodecylamine
三月桂胺
质子离子载体 I
氢离子载体 I
氢离子载体 I
三月桂胺
三正十二胺
CAS Number
102-87-4
EC Number
203-063-4
MDL Number
MFCD00008971
Beilstein Number
1801669
PubChem SID
24858478
162093044
24890119
24889507
PubChem CID
7624

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 11.336615  LogD (pH = 7.4) 11.671769 
Log P 14.831514  Molar Refractivity 172.0329 cm3
Polarizability 68.75331 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds 33  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
14-16°C expand Show data source
32°C expand Show data source
Boiling Point
164°C expand Show data source
220-228 °C/0.03 mmHg(lit.) expand Show data source
220-228°C/0.03m expand Show data source
Flash Point
113 °C expand Show data source
190°C(374°F) expand Show data source
235.4 °F expand Show data source
Density
0.823 expand Show data source
0.823 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4578 expand Show data source
n20/D 1.4578(lit.) expand Show data source
n20/D 1.458 expand Show data source
Vapor Density
>1 (vs air) expand Show data source
Storage Condition
Room Temperature (15-30°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
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
36/37/38 expand Show data source
36/38 expand Show data source
R:36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
S:20-25-26-37/39 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 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P280-P305+P351+P338-P302+P352-P321-P362-P332+P313 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
>85% expand Show data source
≥97.0% (GC) expand Show data source
≥97.0% (NT) expand Show data source
85% expand Show data source
95% expand Show data source
Grade
Selectophore™ expand Show data source
TECHNICAL expand Show data source
technical grade expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Quality
function tested expand Show data source
Linear Formula
[CH3(CH2)11]3N expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02157002 external link
Purity: >85%
Yellow liquid
MP Biomedicals - 05219268 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 306134 external link
Packaging
10, 25 g in glass bottle
Sigma Aldrich - 91660 external link
Caution
may form precipitate on storage
Packaging
10 mL in glass bottle
Sigma Aldrich - 95292 external link
General description
Visit our Sensor Applications portal to learn more.
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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