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60558-96-5 molecular structure
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[3-(diethylamino)propyl]diethylamine

ChemBase ID: 149695
Molecular Formular: C11H26N2
Molecular Mass: 186.33754
Monoisotopic Mass: 186.20959884
SMILES and InChIs

SMILES:
CCN(CC)CCCN(CC)CC
Canonical SMILES:
CCN(CCCN(CC)CC)CC
InChI:
InChI=1S/C11H26N2/c1-5-12(6-2)10-9-11-13(7-3)8-4/h5-11H2,1-4H3
InChIKey:
RCZLVPFECJNLMZ-UHFFFAOYSA-N

Cite this record

CBID:149695 http://www.chembase.cn/molecule-149695.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[3-(diethylamino)propyl]diethylamine
IUPAC Traditional name
[3-(diethylamino)propyl]diethylamine
Synonyms
N,N,N′,N′-Tetraethyl-1,3-propanediamine
1,3-Bis(diethylamino)propane
N,N,N',N'-Tetraethyl-1,3-propanediamine
N,N,N′,N′-四乙基-1,3-丙烷二胺
N,N,N',N'-四乙基-1,3-丙二胺
CAS Number
60558-96-5
MDL Number
MFCD00009057
Beilstein Number
1741257
PubChem SID
24858654
162243857
PubChem CID
143710

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 143710 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.304757  LogD (pH = 7.4) -2.0294464 
Log P 1.6960056  Molar Refractivity 61.867 cm3
Polarizability 24.093277 Å3 Polar Surface Area 6.48 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
133 °C/80 mmHg(lit.) expand Show data source
133°C/80mm expand Show data source
Flash Point
168.8 °F expand Show data source
76 °C expand Show data source
76°C(168°F) expand Show data source
Density
0.81 g/mL at 25 °C(lit.) expand Show data source
0.810 expand Show data source
Refractive Index
1.4377 expand Show data source
n20/D 1.4377(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2735 expand Show data source
UN2735 expand Show data source
MSDS Link
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
III expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
23-26-36/37/39-45 expand Show data source
26-27-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
H314-H318-H227 expand Show data source
GHS Precautionary statements
P210-P260-P303+P361+P353-P305+P351+P338-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
97% expand Show data source
Linear Formula
(C2H5)2N(CH2)3N(C2H5)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 308161 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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