New methylene blue
Basic information
- CAS
1934-16-3- Standard SMILES
CCNc1cc2sc3cc(=[NH+]CC)c(C)cc-3nc2cc1C.[Cl-]- InChIKey
NZYCYASKVWSANA-UHFFFAOYSA-M- Molecular formula
- C18H22ClN3S
- Average molar mass
- 347.9 g/mol
- Monoisotopic mass
- 347.1222966
Overview
See also: New Methylene Blue (annotation moved to) ... View More ...
Names & identifiers
- Preferred name
- New methylene blue
- IUPAC
- ethyl-[7-(ethylamino)-2,8-dimethylphenothiazin-3-ylidene]azanium chloride
- English name
- BASIC BLUE 24
- Molecular formula
- C18H22ClN3S
- Molecular weight
- 347.91
Names & synonyms
New methylene blue1934-16-3Basic blue 24New Methylene Blue NMethylene Blue NNC.I. Basic Blue 243,7-Bis(ethylamino)-2,8-dimethylphenothiazin-5-ium chlorideSigma B-46315GCZ112BCNPhenothiazin-5-ium, 3,7-bis(ethylamino)-2,8-dimethyl-, chlorideethyl-[7-(ethylamino)-2,8-dimethylphenothiazin-3-ylidene]azanium;chlorideNSC-9605
Show more names
CI NO 52030METHYLENE BLUE NNew methylene Blue N, pureC.I.Basic Blue 24:C.I.52030NEW METHYLENE BLUE, N BRECHERNew methylene Blue N solution
CI 52030NSC9605MFCD00135878UNII-5GCZ112BCNC.I. Basic Blue 24 (VAN)NSC 9605EINECS 217-696-96586-05-6
Database identifiers
- CAS
1934-16-3- PubChem CID
- 73518
- DTXSID
DTXSID30894752- ChEMBL
CHEMBL6145367- UNII
- 5GCZ112BCN
- EC Number
- 229-516-6
Properties
Computed structural properties
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 516
Physicochemical properties
- Melting point
- 190 °C · 190°C (dec.) (lit.)
- Boiling point
- 100 °C · 100 °C
- Density
- 1.1964 · 1.1964 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- room temp
- Colour Index
- 52030 · 52030
- form
- Crystals or Crystalline Powder
- color
- Green to dark brown
- λmax
- 590 nm632 · 590 nm632 nm (2nd)
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChI
- 1S/C18H22N3S.ClH/c1-5-19-13-9-17-15(7-11(13)3)21-16-8-12(4)14(20-6-2)10-18(16)22-17;/h7-10,19-20H,5-6H2,1-4H3;1H/q+1;/p-1
- InChIKey
- NZYCYASKVWSANA-UHFFFAOYSA-M
- SMILES
- [Cl-].CCNc1cc2[s+]c3cc(NCC)c(C)cc3nc2cc1C
- CAS DataBase Reference
- 1934 · 1934-16-3
- FDA UNII
- 5 GCZ112BCN · 5GCZ112BCN
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 32041300
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H312-H302-H332
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Applications
UsesNew methylene blue N has been used as a photosensitizer for the photodynamic inactivation of Candida albicans.
Preparation methods
Preparationby heavy chromate salt in sodium content and save treatment 2-Methyl-4-nitroso-N-methylaniline, transforming it into the content and sulfonic acid (2 – Amino-5 – acetic acid aminophenylthio), this product then through heavy chromate salt and N-ethyl-2-methylbenzenamine hydrochloride processing, into a unique of sulfur acid amine generation, then use heavy chromate salt and copper sulfate closed loop and oxidation, Finally,thezinc chloridesaltprecipitation
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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