Isophthalanilic acid, 4-(2-(dimethylamino)ethoxy)-2'-methyl-, methyl ester, monohydrochloride
Basic information
- CAS
24109-52-2- Standard SMILES
COC(=O)c1cc(C(=O)Nc2ccccc2C)ccc1OCC[NH+](C)C.[Cl-]- InChIKey
VAZXBKPDIMKJGV-UHFFFAOYSA-N- Molecular formula
- C20H25ClN2O4
- Average molar mass
- 392.9 g/mol
- Monoisotopic mass
- 392.150285
Names & identifiers
- Preferred name
- Isophthalanilic acid, 4-(2-(dimethylamino)ethoxy)-2'-methyl-, methyl ester, monohydrochloride
- IUPAC
- 2-[2-methoxycarbonyl-4-[(2-methylphenyl)carbamoyl]phenoxy]ethyl-dimethylazanium chloride
Names & synonyms
SCO 94024109-52-24-(2-(Dimethylamino)ethoxy)-2'-methyl-isophthalanilic acid methyl ester hydrochlorideIsophthalanilic acid, 4-(2-(dimethylamino)ethoxy)-2'-methyl-, methyl ester, monohydrochlorideRefChem:349781
Database identifiers
- CAS
24109-52-2- PubChem CID
- 32211
Properties
Computed structural properties
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 469
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Compound notes
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