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110-73-6 molecular structure
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2-(ethylamino)ethan-1-ol

ChemBase ID: 110003
Molecular Formular: C4H11NO
Molecular Mass: 89.13624
Monoisotopic Mass: 89.08406398
SMILES and InChIs

SMILES:
CCNCCO
Canonical SMILES:
OCCNCC
InChI:
InChI=1S/C4H11NO/c1-2-5-3-4-6/h5-6H,2-4H2,1H3
InChIKey:
MIJDSYMOBYNHOT-UHFFFAOYSA-N

Cite this record

CBID:110003 http://www.chembase.cn/molecule-110003.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(ethylamino)ethan-1-ol
IUPAC Traditional name
ethanol, 2-(ethylamino)-
Synonyms
2-(ethylamino)ethanol
N-Ethylethanolamine
2-(Ethylamino)ethanol
2-ETHYLAMINOETHANOL
(2-Hydroxyethyl)ethylamine
N-乙基乙醇胺
乙基羟乙胺
2-(乙基氨基)乙醇
CAS Number
110-73-6
EC Number
203-797-5
MDL Number
MFCD00002841
Beilstein Number
635671
PubChem SID
24870735
162095699
PubChem CID
8072

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.602251  H Acceptors
H Donor LogD (pH = 5.5) -3.7382336 
LogD (pH = 7.4) -2.9450405  Log P -0.5261725 
Molar Refractivity 25.7343 cm3 Polarizability 10.242338 Å3
Polar Surface Area 32.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-9°C expand Show data source
-90 °C(lit.) expand Show data source
-90°C expand Show data source
Boiling Point
168-170°C expand Show data source
169°C expand Show data source
169-170 °C(lit.) expand Show data source
Flash Point
159.8 °F expand Show data source
160 °F expand Show data source
71 °C expand Show data source
71°C(160°F) expand Show data source
Density
0.914 expand Show data source
0.914 g/ml expand Show data source
0.914 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.441 expand Show data source
n20/D 1.441(lit.) expand Show data source
n20/D 1.442 expand Show data source
Vapor Pressure
<1 mmHg ( 20 °C) expand Show data source
RTECS
KK9100000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
2810 expand Show data source
UN2735 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
1 expand Show data source
Hazard Class
6.1 expand Show data source
8 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
22-24-34 expand Show data source
22-24-41 expand Show data source
R:22-27-34 expand Show data source
Safety Statements
20-26-27-36/37/39-45-60 expand Show data source
26-36/37/39-45 expand Show data source
S:26-28-29-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H311-H318 expand Show data source
H311-H302-H314-H318-H227 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-P312 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
RID/ADR
UN 2810 6.1/PG 3 expand Show data source
Purity
≥98% expand Show data source
≥98.0% (T) expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
C2H5NHCH2CH2OH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05213355 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 471461 external link
Packaging
100, 500 mL in glass bottle
2 L in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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