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Molecule
ID:104336
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₂₂H₂₃ClN₄
Molecular Mass
378.89782
Exact Mass
378.16112444
Charge
0
InChI
InChI=1S/C22H22N4.ClH/c1-3-25(4-2)18-11-13-20-22(15-18)26(17-8-6-5-7-9-17)21-14-16(23)10-12-19(21)24-20;/h5-15,23H,3-4H2,1-2H3;1H
InChIKey
MOVNSGGBTSIUGX-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc2c(c1)[n+](c1ccccc1)c1c(n2)ccc(c1)N)CC.[Cl-]
Isomeric Smiles
[Cl-].CCN(CC)c1cc2[n+](c3ccccc3)c3cc(N)ccc3nc2cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4350569
LogD (pH = 7.4)
1.4364041
Log P
1.4364214
Molar Refractivity
118.5341
Polarizability
43.89388
Polar Surface Area
46.03
Rotatable Bonds
4
Lipinski's Rule of Five
true
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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Bioactivity
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General Information
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IUPAC name
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MP Biomedicals
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References
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
MP Biomedicals
02155537
Sigma Aldrich
307505
Academic Data
PubChem
2733867
Names and Identifiers
Synonyms
METHYLENE VIOLET 3RAX
3-Amino-7-[diethylamino]-5-phenyl phenazium chloride
N,N-Diethylphenosafranine
C.I. 50206
3-Amino-7-(diethylamino)-5-phenyl phenazinium chloride
Methylene Violet 3RAX
3-Amino-7-(diethylamino)-5-phenylphenazinium chloride
IUPAC name
3-amino-7-(diethylamino)-5-phenyl-5$l^{5},10-phenazin-5-ylium chloride
3-amino-7-(diethylamino)-5-phenyl-5λ
5
,10-phenazin-5-ylium chloride
IUPAC Traditional name
3-amino-7-(diethylamino)-5-phenyl-5$l^{5},10-phenazin-5-ylium chloride
3-amino-7-(diethylamino)-5-phenyl-5λ
5
,10-phenazin-5-ylium chloride
Registration numbers
CAS Number
4569-86-2
PubChem CID
2733867
PubChem SID
162092761
24858600
MDL Number
MFCD00013433
Color Index Number
50206
Molecule Details
MP Biomedicals
02155537
C.I. 50206 (3-Amino-7-[diethylamino]-5-phenyl phenazinium chloride) Dye content: ~ 90% For supravital staining of lymphocyte mitochondria.
Sigma Aldrich
307505
Packaging
1, 5 g in glass bottle
References
PubChem Literature
From Data Sources
•
Biochem. Biophys. Acta, 11: 980 (1953).
Bioactivity
PubChem BioAssay
Registration numbers
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CAS Number
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PubChem CID
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PubChem SID
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MDL Number
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Color Index Number
Properties
Safety Information
Storage Condition
Room Temperature (15-30°C)
Source
MSDS Link
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German water hazard class
3
Source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Source
Product Information
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Source
Dye Content ~90%
Source
Dye content, 90%
Source
C22H23ClN4
Source
Physical Property
285°C (decomposes)
Source
285 °C (dec.)(lit.)
Source
λmax 557 nm
Source
Certificate of Analysis
Purity
Compostion
Empirical Formula (Hill Notation)
Melting Point
Absorption Wavelength