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1173021-13-0 molecular structure
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4-{[4-(dimethylamino)phenyl](2H5)phenyl(2H)methyl}-N,N-dimethylaniline

ChemBase ID: 157007
Molecular Formular: C23H26N2
Molecular Mass: 330.46594
Monoisotopic Mass: 330.20959884
SMILES and InChIs

SMILES:
c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C
Canonical SMILES:
CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccccc1)C
InChI:
InChI=1S/C23H26N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,23H,1-4H3
InChIKey:
WZKXBGJNNCGHIC-UHFFFAOYSA-N

Cite this record

CBID:157007 http://www.chembase.cn/molecule-157007.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-{[4-(dimethylamino)phenyl](2H5)phenyl(2H)methyl}-N,N-dimethylaniline
IUPAC Traditional name
4-{[4-(dimethylamino)phenyl](2H5)phenyl(2H)methyl}-N,N-dimethylaniline
Synonyms
Bis-(4-dimethylaminophenyl)phenyl-d5-methane-d1
Leucomalachite Green-d6
双-(4-二甲氨基苯基)苯基-d5-甲烷-d1
隐色孔雀绿-d6
CAS Number
1173021-13-0
MDL Number
MFCD09753325
PubChem SID
24860643
162251144
PubChem CID
16212168

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
33944 external link Add to cart Please log in.
Data Source Data ID
PubChem 16212168 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.518484  LogD (pH = 7.4) 5.6993747 
Log P 5.7019506  Molar Refractivity 109.296 cm3
Polarizability 41.140884 Å3 Polar Surface Area 6.48 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Mass Shift
M+6 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
3077 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
22-50/53 expand Show data source
Safety Statements
60-61 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H400 expand Show data source
GHS Precautionary statements
P273 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
RID/ADR
UN 3077 9/PG 3 expand Show data source
Grade
analytical standard expand Show data source
Linear Formula
C6D5CD[C6H4N(CH3)2]2 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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