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105-35-1 molecular structure
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2-chloro-N-ethylacetamide

ChemBase ID: 118465
Molecular Formular: C4H8ClNO
Molecular Mass: 121.56542
Monoisotopic Mass: 121.02944156
SMILES and InChIs

SMILES:
C(=O)(NCC)CCl
Canonical SMILES:
CCNC(=O)CCl
InChI:
InChI=1S/C4H8ClNO/c1-2-6-4(7)3-5/h2-3H2,1H3,(H,6,7)
InChIKey:
JUBORNFANZZVJL-UHFFFAOYSA-N

Cite this record

CBID:118465 http://www.chembase.cn/molecule-118465.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-ethylacetamide
IUPAC Traditional name
2-chloro-N-ethylacetamide
Synonyms
2-chloro-N-ethylacetamide
CAS Number
105-35-1
MDL Number
MFCD00040868
PubChem SID
162103161
PubChem CID
66044

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Life Chemicals
F2190-0245 external link Add to cart Please log in.
Data Source Data ID
PubChem 66044 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.991039  H Acceptors
H Donor LogD (pH = 5.5) 0.08753949 
LogD (pH = 7.4) 0.08753852  Log P 0.0875395 
Molar Refractivity 28.8644 cm3 Polarizability 11.205989 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
0.312 expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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