Basic information
- CAS
102280-49-9- Standard SMILES
Cc1ccc(S(=O)(=O)[O-])cc1.c1cc2c(c(NC3=NCC[NH2+]3)c1)CCCC2- InChIKey
QDRSWMWTRHEOCY-UHFFFAOYSA-N- Molecular formula
- C20H25N3O3S
- Average molar mass
- 387.5 g/mol
- Monoisotopic mass
- 387.16166284
Overview
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Names & identifiers
- Preferred name
- 2-(5,6,7,8-Tetrahydro-1-naphthylamino)-2-imidazoline p-toluenesulfonate
- IUPAC
- 4-methylbenzenesulfonate;N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-1-ium-2-amine
Names & synonyms
2-(5,6,7,8-Tetrahydro-1-naphthylamino)-2-imidazoline p-toluenesulfonate2-Imidazoline, 2-(5,6,7,8-tetrahydro-1-naphthylamino)-, p-toluenesulfonate5,6,7,8-Tetrahydro-N-(2-imidazolin-2-yl)-1-naphthylamine p-toluenesulfonate
Database identifiers
- CAS
102280-49-9- PubChem CID
- 59288
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
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Compound notes
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