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42883-79-4 molecular structure
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N-methyl-N-phenylbutanamide

ChemBase ID: 174219
Molecular Formular: C11H15NO
Molecular Mass: 177.2429
Monoisotopic Mass: 177.11536411
SMILES and InChIs

SMILES:
CCCC(=O)N(C)c1ccccc1
Canonical SMILES:
CCCC(=O)N(c1ccccc1)C
InChI:
InChI=1S/C11H15NO/c1-3-7-11(13)12(2)10-8-5-4-6-9-10/h4-6,8-9H,3,7H2,1-2H3
InChIKey:
NGFPEEPVJGCERE-UHFFFAOYSA-N

Cite this record

CBID:174219 http://www.chembase.cn/molecule-174219.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methyl-N-phenylbutanamide
IUPAC Traditional name
N-methyl-N-phenylbutanamide
Synonyms
N-Methyl-N-phenylbutyramide
NSC 6022
N-Methyl-N-phenylbutanamide
CAS Number
42883-79-4
PubChem SID
164230129
PubChem CID
221441

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M325985 external link Add to cart
PubChem 221441 external link
Data Source Data ID Price
TRC
M325985 external link Add to cart Please log in.
Data Source Data ID
PubChem 221441 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2201269  LogD (pH = 7.4) 2.2201269 
Log P 2.2201269  Molar Refractivity 53.2648 cm3
Polarizability 20.739079 Å3 Polar Surface Area 20.31 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
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MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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