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579-66-8 molecular structure
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2,6-diethylaniline

ChemBase ID: 103196
Molecular Formular: C10H15N
Molecular Mass: 149.2328
Monoisotopic Mass: 149.12044949
SMILES and InChIs

SMILES:
CCc1cccc(CC)c1N
Canonical SMILES:
CCc1cccc(c1N)CC
InChI:
InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3
InChIKey:
FOYHNROGBXVLLX-UHFFFAOYSA-N

Cite this record

CBID:103196 http://www.chembase.cn/molecule-103196.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-diethylaniline
IUPAC Traditional name
2,6-diethylaniline
DEA
Synonyms
2,6-Diethylaniline
2-Amino-1,3-diethylbenzene
2,6-DIETHYLANILINE
2-氨基-1,3-二乙基苯
2,6-二乙基苯胺
CAS Number
579-66-8
EC Number
202-088-8
209-445-7
MDL Number
MFCD00007753
Beilstein Number
1423626
PubChem SID
162090632
24859196
24848950
24862782
PubChem CID
11369

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.04132  LogD (pH = 7.4) 3.0600557 
Log P 3.0602999  Molar Refractivity 50.0428 cm3
Polarizability 18.721254 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-38.8 °C expand Show data source
Boiling Point
217.1 °C at 1013 hPa expand Show data source
243 °C(lit.) expand Show data source
Flash Point
115 °C expand Show data source
239 °F expand Show data source
79 °C (closed cup and DIN 51758) expand Show data source
Auto Ignition Point
630°C expand Show data source
Density
.94 g/cm3 at 20 °C expand Show data source
0.906 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.545(lit.) expand Show data source
n20/D 1.546 expand Show data source
Vapor Pressure
.2 hPa at 20 °C expand Show data source
0.02 mmHg ( 20 °C) expand Show data source
Storage Condition
0°C expand Show data source
RTECS
BX3400000 expand Show data source
BX3500000 expand Show data source
European Hazard Symbols
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
2432 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
German water hazard class
2 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
III expand Show data source
Australian Hazchem
3X expand Show data source
Risk Statements
22 expand Show data source
R:22 expand Show data source
R:23/24/25-33-51/53 expand Show data source
Safety Statements
23-24 expand Show data source
S:23-24 expand Show data source
S:28-37-45-61 expand Show data source
EU Classification
T1 expand Show data source
EU Hazard Identification Number
6.1B expand Show data source
Emergency Response Guidebook(ERG) Number
153 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥98.0% (GC) expand Show data source
95+% expand Show data source
98% expand Show data source
Grade
PESTANAL®, analytical standard expand Show data source
technical expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
(C2H5)2C6H3NH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02150886 external link
mp -38°C
1 ml = approx. 0.93 g
Colorless to yellow liquid
MP Biomedicals - 05201094 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 149381 external link
Packaging
100 mL in glass bottle
Sigma Aldrich - 36765 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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