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78820-11-8 molecular structure
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N-(naphthalen-1-yl)-N-phenylprop-2-enamide

ChemBase ID: 151551
Molecular Formular: C19H15NO
Molecular Mass: 273.3285
Monoisotopic Mass: 273.11536411
SMILES and InChIs

SMILES:
C=CC(=O)N(c1ccccc1)c1cccc2c1cccc2
Canonical SMILES:
C=CC(=O)N(c1cccc2c1cccc2)c1ccccc1
InChI:
InChI=1S/C19H15NO/c1-2-19(21)20(16-11-4-3-5-12-16)18-14-8-10-15-9-6-7-13-17(15)18/h2-14H,1H2
InChIKey:
ZAAYATMUFGQSPN-UHFFFAOYSA-N

Cite this record

CBID:151551 http://www.chembase.cn/molecule-151551.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(naphthalen-1-yl)-N-phenylprop-2-enamide
IUPAC Traditional name
N-(naphthalen-1-yl)-N-phenylprop-2-enamide
Synonyms
N-(1-Naphthyl)-N-phenylacrylamide
N-(1-萘基)-N-苯丙烯酰胺
CAS Number
78820-11-8
MDL Number
MFCD03701558
PubChem SID
162245704
24879939
PubChem CID
3579921

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
565105 external link Add to cart Please log in.
Data Source Data ID
PubChem 3579921 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.47875  LogD (pH = 7.4) 4.47875 
Log P 4.47875  Molar Refractivity 84.9124 cm3
Polarizability 34.027424 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)
Melting Point
102-113 °C(lit.) expand Show data source
Absorption Wavelength
λmax 221 nm expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
98% expand Show data source
Contains
~1000 ppm MEHQ as additive expand Show data source
Empirical Formula (Hill Notation)
C19H15NO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 565105 external link
Application
Fluorescent monomer
Packaging
1 g in glass bottle
100 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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