Home > Compound List > Compound details
68520-00-3 molecular structure
click picture or here to close

1-[6-(dimethylamino)naphthalen-2-yl]ethan-1-one

ChemBase ID: 159152
Molecular Formular: C14H15NO
Molecular Mass: 213.275
Monoisotopic Mass: 213.11536411
SMILES and InChIs

SMILES:
c12c(ccc(c1)C(=O)C)cc(cc2)N(C)C
Canonical SMILES:
CN(c1ccc2c(c1)ccc(c2)C(=O)C)C
InChI:
InChI=1S/C14H15NO/c1-10(16)11-4-5-13-9-14(15(2)3)7-6-12(13)8-11/h4-9H,1-3H3
InChIKey:
FUVQYVZTQJOEQT-UHFFFAOYSA-N

Cite this record

CBID:159152 http://www.chembase.cn/molecule-159152.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[6-(dimethylamino)naphthalen-2-yl]ethan-1-one
IUPAC Traditional name
1-[6-(dimethylamino)naphthalen-2-yl]ethanone
Synonyms
1-[6-(Dimethylamino)-2-naphthalenyl]-ethanone
1-(6-Dimethylaminonaphthalen-2-yl)ethanone
Acdan
Acedan
2-Acetyl-6-(dimethylamino)naphthalene
CAS Number
68520-00-3
PubChem SID
162253287
PubChem CID
15333970

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15333970 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.029919  H Acceptors
H Donor LogD (pH = 5.5) 2.5188954 
LogD (pH = 7.4) 2.6268482  Log P 2.628414 
Molar Refractivity 67.3396 cm3 Polarizability 26.464794 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)
Solubility
Chloroform expand Show data source
Apperance
Yellow Crystalline Solid expand Show data source
MSDS Link
Download expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A168445 external link
Naphthalene derivative.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle