2(3H)-Benzoxazolone, 6-(2-(cyclopropylamino)ethyl)-3-methyl-, monohydrobromide

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Basic information

CAS: 92584-67-3
Standard SMILES: Cn1c(=O)oc2cc(CC[NH2+]C3CC3)ccc21.[Br-]
InChIKey: FJUFYFGBGXSSKP-UHFFFAOYSA-N
Molecular formula: C13H17BrN2O2
Average molar mass: 313.19 g/mol
Monoisotopic mass: 312.04734

Names & identifiers

Preferred name: 2(3H)-Benzoxazolone, 6-(2-(cyclopropylamino)ethyl)-3-methyl-, monohydrobromide
IUPAC: cyclopropyl-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]azanium bromide

Names & synonyms

6-(2-(Cyclopropylamino)ethyl)-3-methyl-2(3H)-benzoxazolone hydrobromideMethyl-3 (cyclopropylamino-2 ethyl)-6 benzoxazolinone bromhydrate [French]2(3H)-BENZOXAZOLONE, 6-(2-(CYCLOPROPYLAMINO)ETHYL)-3-METHYL-, MONOHYDROBROMIDE92584-67-3Methyl-3 (cyclopropylamino-2 ethyl)-6 benzoxazolinone bromhydrateRefChem:241548

Database identifiers

CAS: 92584-67-3
PubChem CID: 56460

Properties

Computed structural properties

Topological polar surface area: 46.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 304

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