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142-26-7 molecular structure
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N-(2-hydroxyethyl)acetamide

ChemBase ID: 107062
Molecular Formular: C4H9NO2
Molecular Mass: 103.11976
Monoisotopic Mass: 103.06332853
SMILES and InChIs

SMILES:
CC(=O)NCCO
Canonical SMILES:
CC(=O)NCCO
InChI:
InChI=1S/C4H9NO2/c1-4(7)5-2-3-6/h6H,2-3H2,1H3,(H,5,7)
InChIKey:
PVCJKHHOXFKFRP-UHFFFAOYSA-N

Cite this record

CBID:107062 http://www.chembase.cn/molecule-107062.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-hydroxyethyl)acetamide
IUPAC Traditional name
acetamide, N-(2-hydroxyethyl)-
Synonyms
N-ACETYLETHANOLAMINE PRACTICAL GRADE
2-Acetamidoethanol
N-(2-Hydroxyethyl)acetamide
N-(2-Hydroxyethyl)acetamide
N-Acetylethanolamine
N-乙酰基乙醇胺
N-(2-羟基乙基)乙酰胺
N-乙酰乙醇胺
CAS Number
142-26-7
EC Number
205-530-8
MDL Number
MFCD00002836
PubChem SID
24846527
162094264
PubChem CID
8880

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.396288  H Acceptors
H Donor LogD (pH = 5.5) -1.4967144 
LogD (pH = 7.4) -1.4967142  Log P -1.4967142 
Molar Refractivity 25.6549 cm3 Polarizability 9.982835 Å3
Polar Surface Area 49.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
16°C expand Show data source
Boiling Point
151-155 °C/5 mmHg(lit.) expand Show data source
151-155°C/5mm expand Show data source
Flash Point
177 °C expand Show data source
177°C(351°F) expand Show data source
350.6 °F expand Show data source
Density
1.12 g/ml expand Show data source
1.12 g/mL at 25 °C(lit.) expand Show data source
1.120 expand Show data source
Refractive Index
1.4720 expand Show data source
n20/D 1.472(lit.) expand Show data source
RTECS
AC3120000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
37/38-41 expand Show data source
41 expand Show data source
R:36 expand Show data source
Safety Statements
26-36 expand Show data source
26-39-60 expand Show data source
S:26 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H315-H318-H335 expand Show data source
H318 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
P280-P305+P351+P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
90+% expand Show data source
95+% expand Show data source
Grade
PRACTICAL expand Show data source
technical grade expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CH3CONHCH2CH2OH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05202408 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 100455 external link
Packaging
25, 500 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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