2-Imidazoline, 2-(4-chloro-2,3-dimethylphenoxy)methyl-, hydrochloride
Basic information
- CAS
101564-92-5- Standard SMILES
Cc1c(Cl)ccc(OCC2=NCC[NH2+]2)c1C.[Cl-]- InChIKey
ZSJFXHSJNKGNLW-UHFFFAOYSA-N- Molecular formula
- C12H16Cl2N2O
- Average molar mass
- 275.17 g/mol
- Monoisotopic mass
- 274.0639685
Names & identifiers
- Preferred name
- 2-Imidazoline, 2-(4-chloro-2,3-dimethylphenoxy)methyl-, hydrochloride
- IUPAC
- 2-[(4-chloro-2,3-dimethylphenoxy)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride
Names & synonyms
2-(4-Chloro-2,3-dimethylphenoxymethyl)-2-imidazoline hydrochloride101564-92-52-IMIDAZOLINE, 2-(4-CHLORO-2,3-DIMETHYLPHENOXY)METHYL-, HYDROCHLORIDERefChem:262011
Database identifiers
- CAS
101564-92-5- PubChem CID
- 58534
Properties
Computed structural properties
- Topological polar surface area
- 38.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 270
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Compound notes
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