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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
Chemik CHB85510 external link Add to cart
PubChem 137890 external link
Data Source Data ID Price
Chemik
CHB85510 external link Add to cart Please log in.
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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