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275371-79-4 molecular structure
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2-methyl-N-(triphenylmethyl)prop-2-enamide

ChemBase ID: 143278
Molecular Formular: C23H21NO
Molecular Mass: 327.41894
Monoisotopic Mass: 327.1623143
SMILES and InChIs

SMILES:
CC(=C)C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
Canonical SMILES:
O=C(C(=C)C)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C23H21NO/c1-18(2)22(25)24-23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,1H2,2H3,(H,24,25)
InChIKey:
UTYRFBWBJRYRSO-UHFFFAOYSA-N

Cite this record

CBID:143278 http://www.chembase.cn/molecule-143278.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-N-(triphenylmethyl)prop-2-enamide
IUPAC Traditional name
2-methyl-N-(triphenylmethyl)prop-2-enamide
Synonyms
TrMAM
2-Methyl-N-(triphenylmethyl)-2-propenamide
N-(Triphenylmethyl)methacrylamide
2-甲基-N-(三苯甲基)-2-丙烯酰胺
N-(三苯甲基)甲基丙烯酰胺
CAS Number
275371-79-4
MDL Number
MFCD17171294
PubChem SID
162237499
PubChem CID
12014368

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
731781 external link Add to cart Please log in.
Data Source Data ID
PubChem 12014368 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.096773  H Acceptors
H Donor LogD (pH = 5.5) 5.5021586 
LogD (pH = 7.4) 5.5021853  Log P 5.5021863 
Molar Refractivity 103.4176 cm3 Polarizability 39.77153 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
130-135 °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 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C23H21NO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 731781 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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