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1001-53-2 molecular structure
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N-(2-aminoethyl)acetamide

ChemBase ID: 121231
Molecular Formular: C4H10N2O
Molecular Mass: 102.135
Monoisotopic Mass: 102.07931295
SMILES and InChIs

SMILES:
C(=O)(NCCN)C
Canonical SMILES:
CC(=O)NCCN
InChI:
InChI=1S/C4H10N2O/c1-4(7)6-3-2-5/h2-3,5H2,1H3,(H,6,7)
InChIKey:
DAKZISABEDGGSV-UHFFFAOYSA-N

Cite this record

CBID:121231 http://www.chembase.cn/molecule-121231.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-aminoethyl)acetamide
IUPAC Traditional name
N-(2-aminoethyl)acetamide
Synonyms
2-(Acetamido)ethylamine
N-(2-Aminoethyl)acetamide
N-Acetylethylenediamine
N-Acetylethylenediamine
N-(2-Aminoethyl)acetamide
N-(2-aminoethyl)acetamide
N-乙酰乙二胺
N-乙酰基乙二胺
CAS Number
1001-53-2
MDL Number
MFCD00008163
Beilstein Number
1743120
PubChem SID
162215584
24864696
PubChem CID
66082

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.307186  H Acceptors
H Donor LogD (pH = 5.5) -4.5454044 
LogD (pH = 7.4) -3.3517225  Log P -1.6035961 
Molar Refractivity 27.3124 cm3 Polarizability 10.84336 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
44-50°C expand Show data source
50 °C(lit.) expand Show data source
Boiling Point
128 °C/3 mmHg(lit.) expand Show data source
128°C/3mm expand Show data source
Flash Point
>110 °C expand Show data source
>110°C(230°F) expand Show data source
>230 °F expand Show data source
Density
1.066 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.485(lit.) expand Show data source
Storage Warning
Air Sensitive & Hygroscopic expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3259 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
III expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 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
Warning expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
H319 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥90% (GC) expand Show data source
90% expand Show data source
95+% expand Show data source
tech. 90% expand Show data source
Grade
technical expand Show data source
technical grade expand Show data source
Impurities
≤2% water expand Show data source
Linear Formula
CH3C(O)NHCH2CH2NH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 397261 external link
Packaging
5, 25 g in glass bottle
Sigma Aldrich - 00911 external link
Caution
product may become solid; becomes liquid on heating to ~50°C

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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