Basic information
- CAS
12221-38-4- Standard SMILES
CCOc1ccc2c(c1)sc(N=Nc1ccc(N(CC)CC)cc1)[n+]2CCC(N)=O.[Cl-]- InChIKey
POELEEGOWIJNBI-UHFFFAOYSA-N- Molecular formula
- C22H28N5O2S.Cl
- Average molar mass
- 462 g/mol
- Monoisotopic mass
- 461.165224
Names & identifiers
- Preferred name
- Benzothiazolium, 3-(3-amino-3-oxopropyl)-2-(2-(4-(diethylamino)phenyl)diazenyl)-6-ethoxy-, chloride (1:1)
- IUPAC
- 3-[2-[[4-(diethylamino)phenyl]diazenyl]-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propanamide chloride
- English name
- Basic Blue 66
- Molecular formula
- C22H28ClN5O2S
- Molecular weight
- 462.01
Names & synonyms
EINECS 235-411-6Benzothiazolium, 3-(3-amino-3-oxopropyl)-2-[2-[4-(diethylamino)phenyl]diazenyl]-6-ethoxy-, chloride (1:1)DTXSID80884542Benzothiazolium, 3-(3-amino-3-oxopropyl)-2-((4-(diethylamino)phenyl)azo)-6-ethoxy-, chlorideBenzothiazolium, 3-(3-amino-3-oxopropyl)-2-[[4-(diethylamino)phenyl]azo]-6-ethoxy-, chlorideBenzothiazolium, 3-(3-amino-3-oxopropyl)-2-(2-(4-(diethylamino)phenyl)diazenyl)-6-ethoxy-, chloride (1:1)RefChem:566340DTXCID20102397812221-38-4basic blue 663-(3-AMINO-3-OXOPROPYL)-2-[[4-(DIETHYLAMINO)PHENYL]AZO]-6-ETHOXYBENZOTHIAZOLIUM CHLORIDE3-[2-[[4-(diethylamino)phenyl]diazenyl]-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propanamide;chloride
Show more names
Cationic blue 66Cationic Blue NBLHC.I. Basic Blue 66Aizen Cathilon Blue NBLH.Aizen Cathilon Blue CD-RLHBasic blue 66 (C.I. 11075)C.I.Basic Blue 66:C.I.11075
3-(3-Amino-3-oxopropyl)-2-((4-(diethylamino)phenyl)azo)-6-ethoxybenzothiazolium chloride3-(3-amino-3-oxopropyl)-2-{[4-(diethylamino)phenyl]diazenyl}-6-ethoxy-1,3-benzothiazol-3-ium chlorideSCHEMBL6913188DB-251786NS00052141
Properties
Computed structural properties
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 566
Physicochemical properties
- EPA Substance Registry System
- 3 · Benzothiazolium, 3-(3-amino-3-oxopropyl)-2-[[4-(diethylamino)phenyl]azo]-6-ethoxy-, chloride (12221-38-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzothiazolium, 3-(3-amino-3-oxopropyl)-2-[[4-(diethylamino)phenyl]azo]-6-ethoxy-, chloride
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzothiazolium, 3-(3-amino-3-oxopropyl)-2-[2-[4-(diethylamino)phenyl]diazenyl]-6-ethoxy-, chloride (1:1): INACTIVE
Applications
UsesBasic Blue 66 is a synthetic dye used in the the study of biological samples
Preparation methods
Preparation6-Ethoxybenzo[d]thiazol-2-amine diazo, and N,N-diethylbenzenamine coupling, then use acrylamide of quaternary ammonium salt.
Upstream & downstream products
Upstream raw materials
Suppliers5 total
上海陶素生化科技有限公司021-33632979 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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