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7355-58-0 molecular structure
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N-(2-chloroethyl)acetamide

ChemBase ID: 89867
Molecular Formular: C4H8ClNO
Molecular Mass: 121.56542
Monoisotopic Mass: 121.02944156
SMILES and InChIs

SMILES:
N(C(=O)C)CCCl
Canonical SMILES:
CC(=O)NCCCl
InChI:
InChI=1S/C4H8ClNO/c1-4(7)6-3-2-5/h2-3H2,1H3,(H,6,7)
InChIKey:
HSKNJSHFPPHTAQ-UHFFFAOYSA-N

Cite this record

CBID:89867 http://www.chembase.cn/molecule-89867.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-chloroethyl)acetamide
IUPAC Traditional name
N-(2-chloroethyl)acetamide
Synonyms
N-Acetyl-2-chloroethylamine
N-(2-Chloroethyl)acetamide
N-(2-Chloroethyl)acetamide
N-(2-氯乙基)乙酰胺
CAS Number
7355-58-0
EC Number
230-884-5
MDL Number
MFCD00000965
Beilstein Number
1743108
PubChem SID
162076722
PubChem CID
81815

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 81815 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.477524  H Acceptors
H Donor LogD (pH = 5.5) -0.14212245 
LogD (pH = 7.4) -0.14212245  Log P -0.14212242 
Molar Refractivity 28.7059 cm3 Polarizability 11.20375 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
130-132°C/11mm expand Show data source
130-132°C/11mm expand Show data source
Flash Point
>110°C expand Show data source
>110°C(230°F) expand Show data source
Density
1.204 expand Show data source
Refractive Index
1.4790 expand Show data source
Storage Warning
Harmful/Irritant/Store under Argon expand Show data source
RTECS
AB5460000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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