2-[[4-[2-(6-Methoxy-2-benzothiazolyl)diazenyl]phenyl]methylamino]ethanol
Basic information
- CAS
68083-97-6- Standard SMILES
COc1ccc2nc(N=Nc3ccc(N(C)CCO)cc3)sc2c1- InChIKey
UKNRIBNPUUGUBM-UHFFFAOYSA-N- Molecular formula
- C17H18N4O2S
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.115047
Names & identifiers
- Preferred name
- 2-[[4-[2-(6-Methoxy-2-benzothiazolyl)diazenyl]phenyl]methylamino]ethanol
- IUPAC
- 2-[4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-N-methylanilino]ethanol
- English name
- 2-[[4-[(6-Methoxybenzothiazol-2-yl)azo]phenyl]methylamino]ethanol
- Molecular formula
- C17H18N4O2S
- Molecular weight
- 342.42
Names & synonyms
68083-97-62-[[4-[2-(6-Methoxy-2-benzothiazolyl)diazenyl]phenyl]methylamino]ethanol2-((4-(2-(6-Methoxy-2-benzothiazolyl)diazenyl)phenyl)methylamino)ethanolRefChem:249343Ethanol, 2-((4-((6-methoxy-2-benzothiazolyl)azo)phenyl)methylamino)-Ethanol, 2-[[4-[(6-methoxy-2-benzothiazolyl)azo]phenyl]methylamino]-UKNRIBNPUUGUBM-UHFFFAOYSA-NDTXSID901150289Ethanol, 2-((4-(2-(6-methoxy-2-benzothiazolyl)diazenyl)phenyl)methylamino)-2-[{4-[(6-Methoxy-1,3-benzothiazol-2-yl)diazenyl]phenyl}(methyl)amino]ethan-1-ol2-[[4-[(6-Methoxybenzothiazol-2-yl)azo]phenyl]methylamino]ethanolEthanol, 2-[[4-[2-(6-methoxy-2-benzothiazolyl)diazenyl]phenyl]methylamino]-
Database identifiers
- CAS
68083-97-6- PubChem CID
- 106525
- DTXSID
DTXSID901150289
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 98.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 417
Physicochemical properties
- Melting point
- 242 · 242-243 °C(Solvent: Ethanol)
- Boiling point
- 546.248 · 546.248±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.306 · 1.306±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.508 · 14.508±0.10(predicted)
- EPA Substance Registry System
- 2 · Ethanol, 2-[[4-[(6-methoxy-2-benzothiazolyl)azo]phenyl]methylamino]- (68083-97-6)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanol, 2-[[4-[2-(6-methoxy-2-benzothiazolyl)diazenyl]phenyl]methylamino]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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