6-Ethoxy-N,N-dimethylbenzothiazol-2-amine
Basic information
- CAS
5304-29-0- Standard SMILES
CCOc1ccc2nc(N(C)C)sc2c1- InChIKey
AOKXEGLNJFYAGV-UHFFFAOYSA-N- Molecular formula
- C11H14N2OS
- Average molar mass
- 222.31 g/mol
- Monoisotopic mass
- 222.08268425
Names & identifiers
- Preferred name
- 6-Ethoxy-N,N-dimethylbenzothiazol-2-amine
- IUPAC
- 6-ethoxy-N,N-dimethyl-1,3-benzothiazol-2-amine
- English name
- 6-ethoxy-N,N-dimethylbenzothiazol-2-amine
- Molecular formula
- C11H14N2OS
- Molecular weight
- 222.30666
Names & synonyms
5304-29-06-Ethoxy-N,N-dimethylbenzo[d]thiazol-2-amine6-Ethoxy-N,N-dimethylbenzothiazol-2-amine6-ethoxy-N,N-dimethyl-1,3-benzothiazol-2-amineEINECS 226-154-02-benzothiazolamine, 6-ethoxy-n,n-dimethyl-6-Ethoxy-N,N-dimethyl-2-benzothiazolamineQF5SX7N6RQDTXSID80967541AOKXEGLNJFYAGV-UHFFFAOYSA-NAKOS022188861NS00045860
Show more names
2-Benzothiazolamine,6-ethoxy-N,N-dimethyl-(9CI)(6-ethoxy-1,3-benzothiazol-2-yl)-dimethyl-amine
Database identifiers
- CAS
5304-29-0- PubChem CID
- 79190
- DTXSID
DTXSID80967541- UNII
- QF5SX7N6RQ
- EC Number
- 226-154-0
- Nikkaji
- J297.990J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 53.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Melting point
- 85 °C · 85 °C
- Boiling point
- 324.1 · 324.1±34.0 °C(Predicted)
- Density
- 1.203 · 1.203±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.98 · 4.98±0.10(Predicted)
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Compound notes
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