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22948-06-7 molecular structure
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4-(triphenylmethyl)aniline

ChemBase ID: 110181
Molecular Formular: C25H21N
Molecular Mass: 335.44094
Monoisotopic Mass: 335.16739968
SMILES and InChIs

SMILES:
Nc1ccc(cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Canonical SMILES:
Nc1ccc(cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C25H21N/c26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19H,26H2
InChIKey:
XYHDHXBLSLSXSR-UHFFFAOYSA-N

Cite this record

CBID:110181 http://www.chembase.cn/molecule-110181.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(triphenylmethyl)aniline
IUPAC Traditional name
4-(triphenylmethyl)aniline
Synonyms
4-Aminotetraphenylmethane
4-Triphenylmethylaniline
4-Tritylaniline
p-AMINOTETRAPHENYLMETHANE
4-Tritylaniline
4-三苯代甲基苯胺
4-三苯代甲基苯胺
4-三甲基苯胺
CAS Number
22948-06-7
EC Number
245-346-5
MDL Number
MFCD00007898
Beilstein Number
2750328
PubChem SID
24849818
162096425
PubChem CID
89914

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.071984  LogD (pH = 7.4) 6.090546 
Log P 6.090788  Molar Refractivity 109.7093 cm3
Polarizability 42.1801 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
255-257 °C(lit.) expand Show data source
256-260°C expand Show data source
RTECS
CY1220000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
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
26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
(C6H5)3CC6H4NH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05214040 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 159506 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Phosphate monoesters can be protected as their lipid-soluble phosphoramidates by DCC-coupling with 4-tritylaniline: J. Am. Chem. Soc., 93, 2754 (1971).
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PATENTS

PATENTS

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INTERNET

INTERNET

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