Home > Compound List > Compound details
29921-56-0 molecular structure
click picture or here to close

8-acetamidonaphthalen-2-yl acetate

ChemBase ID: 806564
Molecular Formular: C14H13NO3
Molecular Mass: 243.25792
Monoisotopic Mass: 243.08954328
SMILES and InChIs

SMILES:
O(C(=O)C)c1ccc2c(c(ccc2)NC(=O)C)c1
Canonical SMILES:
CC(=O)Nc1cccc2c1cc(cc2)OC(=O)C
InChI:
InChI=1S/C14H13NO3/c1-9(16)15-14-5-3-4-11-6-7-12(8-13(11)14)18-10(2)17/h3-8H,1-2H3,(H,15,16)
InChIKey:
ZJRDCIAHXPSCHO-UHFFFAOYSA-N

Cite this record

CBID:806564 http://www.chembase.cn/molecule-806564.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-acetamidonaphthalen-2-yl acetate
IUPAC Traditional name
8-acetamidonaphthalen-2-yl acetate
Synonyms
8-ACETAMIDONAPHTHALEN-2-YL ACETATE
CAS Number
29921-56-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O24284 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O24284 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.567609  H Acceptors
H Donor LogD (pH = 5.5) 1.807694 
LogD (pH = 7.4) 1.8076936  Log P 1.807694 
Molar Refractivity 68.5036 cm3 Polarizability 27.137545 Å3
Polar Surface Area 55.4 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

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