Ammonium, diethylmethyl(2-(4-methyl-1-oxo-2H-phthalazin-2-yl)ethyl)-, iodide

HCID 52023

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Basic information

CAS: 73664-09-2
Standard SMILES: CC[N+](C)(CC)CCn1nc(C)c2ccccc2c1=O.[I-]
InChIKey: XHHBFYYZSZCAEA-UHFFFAOYSA-M
Molecular formula: C16H24IN3O
Average molar mass: 401.29 g/mol
Monoisotopic mass: 401.09641

Names & identifiers

Preferred name: Ammonium, diethylmethyl(2-(4-methyl-1-oxo-2H-phthalazin-2-yl)ethyl)-, iodide
IUPAC: diethyl-methyl-[2-(4-methyl-1-oxophthalazin-2-yl)ethyl]azanium iodide

Names & synonyms

73664-09-2AMMONIUM, DIETHYLMETHYL(2-(4-METHYL-1-OXO-2H-PHTHALAZIN-2-YL)ETHYL)-, IODIDERefChem:1076870HL 2158Diethylmethyl(2-(4-methyl-1-oxo-2H-phthalazin-yl)ethyl)ammonium iodideDTXSID00994470N,N-Diethyl-N-methyl-2-(4-methyl-1-oxophthalazin-2(1H)-yl)ethan-1-aminium iodide

Database identifiers

CAS: 73664-09-2
PubChem CID: 52023
DTXSID: DTXSID00994470

Properties

Computed structural properties

Topological polar surface area: 32.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 387

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