Benzothiazol-2-yl-(4-ethoxy-phenyl)-amine
Basic information
- CAS
6634-87-3- Standard SMILES
CCOc1ccc(Nc2nc3ccccc3s2)cc1- InChIKey
QUFFMFMGOVRDIM-UHFFFAOYSA-N- Molecular formula
- C15H14N2OS
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.08268425
Names & identifiers
- Preferred name
- Benzothiazol-2-yl-(4-ethoxy-phenyl)-amine
- IUPAC
- N-(4-ethoxyphenyl)-1,3-benzothiazol-2-amine
- English name
- Benzothiazol-2-yl-(4-ethoxy-phenyl)-amine
- Molecular formula
- C15H14N2OS
- Molecular weight
- 270.35
Names & synonyms
6634-87-3Benzothiazol-2-yl-(4-ethoxy-phenyl)-amineN-(4-ethoxyphenyl)-1,3-benzothiazol-2-amineN-(4-Ethoxyphenyl)benzo[d]thiazol-2-amineNSC34474Enamine_003039Oprea1_031387SCHEMBL5022950SCHEMBL29369155DTXSID40283956QUFFMFMGOVRDIM-UHFFFAOYSA-NHMS1402K03
Show more names
2-Benzothiazolamine, N-(4-ethoxyphenyl)-
GAA63487NSC-34474SBB038418AKOS000115910benzothiazol-2-yl(4-ethoxyphenyl)amineN-(4-ethoxyphenyl)benzothiazol-2-amineDS-011607CS-0218968
Database identifiers
- CAS
6634-87-3- PubChem CID
- 234497
- DTXSID
DTXSID40283956- EC Number
- 177-728-1
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Melting point
- 165 · 165-167 °C
- Boiling point
- 422.2 · 422.2±47.0 °C(Predicted)
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- pka
- 3 · 3.00±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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