Home > Compound List > Compound details
141029-31-4 molecular structure
click picture or here to close

2-methyl-N-(naphthalen-1-yl)-N-phenylprop-2-enamide

ChemBase ID: 151548
Molecular Formular: C20H17NO
Molecular Mass: 287.35508
Monoisotopic Mass: 287.13101417
SMILES and InChIs

SMILES:
CC(=C)C(=O)N(c1ccccc1)c1cccc2c1cccc2
Canonical SMILES:
CC(=C)C(=O)N(c1cccc2c1cccc2)c1ccccc1
InChI:
InChI=1S/C20H17NO/c1-15(2)20(22)21(17-11-4-3-5-12-17)19-14-8-10-16-9-6-7-13-18(16)19/h3-14H,1H2,2H3
InChIKey:
BLVLNPMGKHGHJN-UHFFFAOYSA-N

Cite this record

CBID:151548 http://www.chembase.cn/molecule-151548.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-N-(naphthalen-1-yl)-N-phenylprop-2-enamide
IUPAC Traditional name
2-methyl-N-(naphthalen-1-yl)-N-phenylprop-2-enamide
Synonyms
N-(1-Naphthyl)-N-phenylmethacrylamide
N-(1-萘基)-N-苯基甲酰胺
N-(1-萘基)-N-苯基甲基丙烯酰胺
CAS Number
141029-31-4
MDL Number
MFCD03701557
PubChem SID
24879937
162245701
PubChem CID
4563902

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4563902 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.874301  LogD (pH = 7.4) 4.874301 
Log P 4.874301  Molar Refractivity 89.2695 cm3
Polarizability 35.87417 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
112-118 °C(lit.) expand Show data source
112-118°C expand Show data source
Absorption Wavelength
λmax 222 nm expand Show data source
Storage Warning
Air & Light Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A 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
500-1,000 ppm MEHQ as additive expand Show data source
Empirical Formula (Hill Notation)
C20H17NO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 565091 external link
Packaging
100 mg in glass bottle

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