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115532-50-8 molecular structure
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6-(dimethylamino)-9-[2-(methoxycarbonyl)phenyl]-N,N-dimethyl-3H-xanthen-3-iminium perchlorate

ChemBase ID: 130855
Molecular Formular: C25H25ClN2O7
Molecular Mass: 500.9282
Monoisotopic Mass: 500.13502883
SMILES and InChIs

SMILES:
CN(C)c1ccc2c(c1)oc1cc(=[N+](C)C)ccc1c2c1ccccc1C(=O)OC.[O-][Cl](=O)(=O)=O
Canonical SMILES:
[O-][Cl](=O)(=O)=O.COC(=O)c1ccccc1c1c2ccc(=[N+](C)C)cc2oc2c1ccc(c2)N(C)C
InChI:
InChI=1S/C25H25N2O3.ClHO4/c1-26(2)16-10-12-20-22(14-16)30-23-15-17(27(3)4)11-13-21(23)24(20)18-8-6-7-9-19(18)25(28)29-5;2-1(3,4)5/h6-15H,1-5H3;(H,2,3,4,5)/q+1;/p-1
InChIKey:
PFYWPQMAWCYNGW-UHFFFAOYSA-M

Cite this record

CBID:130855 http://www.chembase.cn/molecule-130855.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(dimethylamino)-9-[2-(methoxycarbonyl)phenyl]-N,N-dimethyl-3H-xanthen-3-iminium perchlorate
IUPAC Traditional name
6-(dimethylamino)-9-[2-(methoxycarbonyl)phenyl]-N,N-dimethylxanthen-3-iminium perchlorate
Synonyms
TMRM
Tetramethylrhodamine methyl ester perchlorate
CAS Number
115532-50-8
MDL Number
MFCD00274460
Beilstein Number
7162165
PubChem SID
24900280
24889004
162225133
PubChem CID
11755725

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11755725 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.4872015  LogD (pH = 7.4) 0.49033064 
Log P 0.4903707  Molar Refractivity 143.6948 cm3
Polarizability 45.315693 Å3 Polar Surface Area 41.78 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
alcohols: soluble expand Show data source
DMSO: soluble expand Show data source
Fluorescence
λem 573 nm in methanol expand Show data source
λex 540 nm; λem 595 nm in DMSO 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
26-36 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
Storage Temperature
2-8°C expand Show data source
Purity
≥95% expand Show data source
≥95% (HPCE) expand Show data source
Grade
for fluorescence expand Show data source
Linear Formula
C25H25N2O3 · ClO4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 87919 external link
Other Notes
Potential-sensitive probe for measuring membrane potential changes in mitochondria1
Sigma Aldrich - T5428 external link
Application
Sensitive probe for mitochondrial membrane potential.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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