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2124-31-4 molecular structure
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2-(dimethylamino)-1-phenylethan-1-one

ChemBase ID: 180147
Molecular Formular: C10H13NO
Molecular Mass: 163.21632
Monoisotopic Mass: 163.09971404
SMILES and InChIs

SMILES:
C(=O)(CN(C)C)c1ccccc1
Canonical SMILES:
CN(CC(=O)c1ccccc1)C
InChI:
InChI=1S/C10H13NO/c1-11(2)8-10(12)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey:
UMLWXYJZDNNBTD-UHFFFAOYSA-N

Cite this record

CBID:180147 http://www.chembase.cn/molecule-180147.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(dimethylamino)-1-phenylethan-1-one
IUPAC Traditional name
2-(dimethylamino)-1-phenylethanone
Synonyms
Dimethylaminoacetophenone
CAS Number
2124-31-4
PubChem SID
164236057
PubChem CID
137890

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 137890 external link
Chemik CHB85510 external link Add to cart
Data Source Data ID Price
Chemik
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Data Source Data ID
PubChem 137890 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.088205  H Acceptors
H Donor LogD (pH = 5.5) 0.30771148 
LogD (pH = 7.4) 1.3609704  Log P 1.4223918 
Molar Refractivity 49.8898 cm3 Polarizability 19.28533 Å3
Polar Surface Area 20.31 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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