2-Benzoxazolinone, 6-(3-(dimethylamino)propionyl)-3-methyl-, hydrochloride
Basic information
- CAS
59384-74-6- Standard SMILES
Cn1c(=O)oc2cc(C(=O)CC[NH+](C)C)ccc21.[Cl-]- InChIKey
GATWNCNVJZQPCR-UHFFFAOYSA-N- Molecular formula
- C13H17ClN2O3
- Average molar mass
- 284.74 g/mol
- Monoisotopic mass
- 284.0927701
Names & identifiers
- Preferred name
- 2-Benzoxazolinone, 6-(3-(dimethylamino)propionyl)-3-methyl-, hydrochloride
- IUPAC
- dimethyl-[3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopropyl]azanium chloride
Names & synonyms
6-(3-(Dimethylamino)propionyl)-3-methyl-2-benzoxazolinone hydrochloride2-BENZOXAZOLINONE, 6-(3-(DIMETHYLAMINO)PROPIONYL)-3-METHYL-, HYDROCHLORIDE59384-74-6RefChem:256437
Database identifiers
- CAS
59384-74-6- PubChem CID
- 43018
Properties
Computed structural properties
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 343
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Compound notes
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