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575-36-0 molecular structure
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N-(naphthalen-1-yl)acetamide

ChemBase ID: 139083
Molecular Formular: C12H11NO
Molecular Mass: 185.22184
Monoisotopic Mass: 185.08406398
SMILES and InChIs

SMILES:
CC(=O)Nc1cccc2c1cccc2
Canonical SMILES:
CC(=O)Nc1cccc2c1cccc2
InChI:
InChI=1S/C12H11NO/c1-9(14)13-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H,13,14)
InChIKey:
OKQIEBVRUGLWOR-UHFFFAOYSA-N

Cite this record

CBID:139083 http://www.chembase.cn/molecule-139083.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(naphthalen-1-yl)acetamide
IUPAC Traditional name
N-(naphthalen-1-yl)acetamide
Synonyms
1-Acetamidonaphthalene
N-1-Naphthalenyl-acetamide
1-(Acetylamino)naphthalene
N-(1-Naphthalenyl)acetamide
N-α-Naphthylacetamide
NSC 3105
1-Acetamidonaphthalene
1-萘基乙酰胺
CAS Number
575-36-0
MDL Number
MFCD00059128
PubChem SID
162233333
24850120
PubChem CID
68461

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 68461 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.615662  H Acceptors
H Donor LogD (pH = 5.5) 2.200433 
LogD (pH = 7.4) 2.2004328  Log P 2.200433 
Molar Refractivity 57.3712 cm3 Polarizability 22.780565 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C12H11NO expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A158455 external link
Protected Naphthylamine.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Barbay, J., et al.: Bioorg. Med. Chem. Lett.,18, 2544 (2008)
  • • Konda, S., et al.: J. Chem. Pharm. Res., 2, 187 (2008)
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PATENTS

PATENTS

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INTERNET

INTERNET

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