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5331-48-6 molecular structure
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N-propylacetamide

ChemBase ID: 303938
Molecular Formular: C5H11NO
Molecular Mass: 101.14694
Monoisotopic Mass: 101.08406398
SMILES and InChIs

SMILES:
CCCNC(=O)C
Canonical SMILES:
CCCNC(=O)C
InChI:
InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)
InChIKey:
IHPHPGLJYCDONF-UHFFFAOYSA-N

Cite this record

CBID:303938 http://www.chembase.cn/molecule-303938.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-propylacetamide
IUPAC Traditional name
N-propylacetamide
Synonyms
N-(n-Propyl)acetamide
N-正丙基乙酰胺
CAS Number
5331-48-6
EC Number
226-231-9
MDL Number
MFCD00051554
Beilstein Number
1699600

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.517353  H Acceptors
H Donor LogD (pH = 5.5) 0.07271803 
LogD (pH = 7.4) 0.072718084  Log P 0.072718084 
Molar Refractivity 28.6352 cm3 Polarizability 11.1500025 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)
Density
0.912 expand Show data source
Refractive Index
1.4370 expand Show data source
TSCA Listed
expand Show data source
Purity
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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