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100-36-7 molecular structure
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(2-aminoethyl)diethylamine

ChemBase ID: 104910
Molecular Formular: C6H16N2
Molecular Mass: 116.20464
Monoisotopic Mass: 116.13134852
SMILES and InChIs

SMILES:
CCN(CC)CCN
Canonical SMILES:
NCCN(CC)CC
InChI:
InChI=1S/C6H16N2/c1-3-8(4-2)6-5-7/h3-7H2,1-2H3
InChIKey:
UDGSVBYJWHOHNN-UHFFFAOYSA-N

Cite this record

CBID:104910 http://www.chembase.cn/molecule-104910.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-aminoethyl)diethylamine
IUPAC Traditional name
(2-aminoethyl)diethylamine
Synonyms
2-Diethylaminoethylamine
N,N-Diethylethylenediamine
N1,N1-diethylethane-1,2-diamine
1-AMINO-2-DIETHYLAMINOETHANE
2-(Diethylamino)ethylamine
2-(DIETHYLAMINO)ETHYLAMINE
2-二乙氨基乙胺
N,N-二乙基乙二胺
CAS Number
100-36-7
EC Number
202-844-7
MDL Number
MFCD00008176
Beilstein Number
605299
PubChem SID
162092328
24847111
PubChem CID
60993

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Donor LogD (pH = 5.5) -4.7909904 
LogD (pH = 7.4) -2.5116532  Log P 0.10680157 
Molar Refractivity 37.4351 cm3 Polarizability 14.858968 Å3
Polar Surface Area 29.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
<-70°C expand Show data source
Boiling Point
145-147 °C(lit.) expand Show data source
145-147°C expand Show data source
Flash Point
30°C(86°F) expand Show data source
32 °C expand Show data source
89.6 °F expand Show data source
Density
0.82 g/ml expand Show data source
0.825 expand Show data source
0.827 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4360 expand Show data source
n20/D 1.435 expand Show data source
n20/D 1.436(lit.) expand Show data source
Storage Warning
Air Sensitive expand Show data source
RTECS
KV3500000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
2685 expand Show data source
UN2685 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
1 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
10-20/21/22-35 expand Show data source
10-21-34 expand Show data source
R:27 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
7-20-26-33-36/37/39-45-60 expand Show data source
S:36/37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H226-H311-H314-H332 expand Show data source
H311-H314-H318-H226-H303 expand Show data source
GHS Precautionary statements
P210-P303+P361+P353-P305+P351+P338-P361-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 2685 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
Download expand Show data source
Linear Formula
(C2H5)2NCH2CH2NH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02157678 external link
(N,N-Diethylethylenediamine)
Purity: 99%
1 ml = approx. 0.82 g
MP Biomedicals - 05209388 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 112720 external link
Packaging
5, 100, 500 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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