Basic information
- CAS
76712-85-1- Standard SMILES
NCCCCCCCCCCCc1nc2ccccc2s1- InChIKey
CAIFSJYLUYKGQG-UHFFFAOYSA-N- Molecular formula
- C18H28N2S
- Average molar mass
- 304.5 g/mol
- Monoisotopic mass
- 304.1973199
Names & identifiers
- Preferred name
- 2-Benzothiazoleundecanamine
- IUPAC
- 11-(1,3-benzothiazol-2-yl)undecan-1-amine
Names & synonyms
2-BenzothiazoleundecanamineSCHEMBL114375692-(11-aminoundecyl)benzothiazoleCAIFSJYLUYKGQG-UHFFFAOYSA-NDTXSID70130991976712-85-111-(1,3-benzothiazol-2-yl)undecan-1-amine
Database identifiers
- CAS
76712-85-1- PubChem CID
- 23328903
- DTXSID
DTXSID701309919
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 260
Related reactions
1 records
Compound notes
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