2-Propanamine, N-[2-[(4-nitro-5-benzothiazolyl)oxy]ethyl]-
Basic information
- CAS
1458080-00-6- Standard SMILES
CC(C)NCCOc1ccc2scnc2c1[N+](=O)[O-]- InChIKey
DOQRNXLMCDSAKG-UHFFFAOYSA-N- Molecular formula
- C12H15N3O3S
- Average molar mass
- 281.33 g/mol
- Monoisotopic mass
- 281.08341252
Names & identifiers
- Preferred name
- 2-Propanamine, N-[2-[(4-nitro-5-benzothiazolyl)oxy]ethyl]-
- IUPAC
- N-[2-[(4-nitro-1,3-benzothiazol-5-yl)oxy]ethyl]propan-2-amine
Names & synonyms
DTXSID301192629AKOS0116340752-Propanamine, N-[2-[(4-nitro-5-benzothiazolyl)oxy]ethyl]-N-{2-[(4-Nitro-1,3-benzothiazol-5-yl)oxy]ethyl}propan-2-amine1458080-00-6
Database identifiers
- CAS
1458080-00-6- PubChem CID
- 62348982
- DTXSID
DTXSID301192629
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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