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106-20-7 molecular structure
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bis(2-ethylhexyl)amine

ChemBase ID: 89692
Molecular Formular: C16H35N
Molecular Mass: 241.4558
Monoisotopic Mass: 241.27695013
SMILES and InChIs

SMILES:
N(CC(CC)CCCC)CC(CCCC)CC
Canonical SMILES:
CCCCC(CNCC(CCCC)CC)CC
InChI:
InChI=1S/C16H35N/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h15-17H,5-14H2,1-4H3
InChIKey:
SAIKULLUBZKPDA-UHFFFAOYSA-N

Cite this record

CBID:89692 http://www.chembase.cn/molecule-89692.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(2-ethylhexyl)amine
IUPAC Traditional name
di-(2-ethylhexyl)amine
Synonyms
Bis(2-ethylhexyl)amine
DI(2-ETHYLHEXYL)AMINE
Di-2-ethylhexylamine
Diisooctylamine
Bis(2-ethylhexyl)amine 99%
bis(2-ethylhexyl)amine
二异辛胺
双(2-乙基己基)胺
二(2-乙基己基)胺
CAS Number
106-20-7
EC Number
203-372-4
MDL Number
MFCD00009489
Beilstein Number
1748342
PubChem SID
24857615
162076555
PubChem CID
7791

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6121244  LogD (pH = 7.4) 2.7381644 
Log P 5.8522773  Molar Refractivity 78.9898 cm3
Polarizability 31.812483 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds 12  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
<-60°C expand Show data source
-60°C expand Show data source
Boiling Point
123 °C/5 mmHg(lit.) expand Show data source
123°C/5mm expand Show data source
281°C expand Show data source
Flash Point
113 °C expand Show data source
121°C(250°F) expand Show data source
128°C expand Show data source
235.4 °F expand Show data source
Density
0.805 expand Show data source
0.805 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4420 expand Show data source
1.443 expand Show data source
n20/D 1.443 expand Show data source
n20/D 1.443(lit.) expand Show data source
Storage Warning
Irritant/Corrosive expand Show data source
RTECS
IH6825000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
2735 expand Show data source
UN2922 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
2 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
III expand Show data source
Risk Statements
21/22-23-34-50/53 expand Show data source
21/22-34 expand Show data source
R:22-27 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
26-36/37/39-45-60-61 expand Show data source
S:36/37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H311-H314 expand Show data source
H331-H302-H312-H314-H318-H400-H410 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
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2735 8/PG 2 expand Show data source
Purity
≥98.0% (GC) expand Show data source
98% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
[CH3(CH2)3CH(C2H5)CH2]2NH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05209111 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 292850 external link
Packaging
1 L in glass bottle
250 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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