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10254-08-7 molecular structure
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N-(diphenylmethyl)prop-2-enamide

ChemBase ID: 143276
Molecular Formular: C16H15NO
Molecular Mass: 237.2964
Monoisotopic Mass: 237.11536411
SMILES and InChIs

SMILES:
C=CC(=O)NC(c1ccccc1)c1ccccc1
Canonical SMILES:
C=CC(=O)NC(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C16H15NO/c1-2-15(18)17-16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-12,16H,1H2,(H,17,18)
InChIKey:
SHXRPEYRCYQSFS-UHFFFAOYSA-N

Cite this record

CBID:143276 http://www.chembase.cn/molecule-143276.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(diphenylmethyl)prop-2-enamide
IUPAC Traditional name
N-(diphenylmethyl)prop-2-enamide
Synonyms
DPMAm
N-Diphenylmethylacrylamide
N-二苯基甲基丙烯酰胺
CAS Number
10254-08-7
MDL Number
MFCD00081111
PubChem SID
162237497
PubChem CID
12027357

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
731145 external link Add to cart Please log in.
Data Source Data ID
PubChem 12027357 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.592105  H Acceptors
H Donor LogD (pH = 5.5) 3.4583838 
LogD (pH = 7.4) 3.4583938  Log P 3.458394 
Molar Refractivity 72.9057 cm3 Polarizability 28.292639 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)
Melting Point
180-185 °C expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H319 expand Show data source
GHS Precautionary statements
P305 + P351 + P338 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
96% expand Show data source
Contains
50 ppm monomethyl ether hydroquinone as inhibitor expand Show data source
Empirical Formula (Hill Notation)
C16H15NO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 731145 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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