1,4-Dibutyl-2-methyl-N-phenylpiperazine-2-carboximidic acid--nitric acid (1/2)

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Basic information

CAS: 63981-37-3
Standard SMILES: CCCCN1CCN(CCCC)C(C)(C(=O)Nc2ccccc2)C1.O=[N+]([O-])O.O=[N+]([O-])O
InChIKey: GQGPESHGTUQISM-UHFFFAOYSA-N
Molecular formula: C20H35N5O7
Average molar mass: 457.5 g/mol
Monoisotopic mass: 457.25364847

Names & identifiers

Preferred name: 1,4-Dibutyl-2-methyl-N-phenylpiperazine-2-carboximidic acid--nitric acid (1/2)
IUPAC: 1,4-dibutyl-2-methyl-N-phenylpiperazine-2-carboxamide;bis(nitric acid)

Names & synonyms

63981-37-3DTXSID409816071,4-Dibutyl-2-methyl-N-phenylpiperazine-2-carboximidic acid--nitric acid (1/2)RefChem:1053255DTXCID5014088762-Piperazinecarboxanilide, 1,4-dibutyl-2-methyl-, dinitrate2-Piperazinecarboxamide, 1,4-dibutyl-2-methyl-N-phenyl-, dinitrate

Database identifiers

CAS: 63981-37-3
PubChem CID: 115498
DTXSID: DTXSID40981607

Properties

Computed structural properties

Topological polar surface area: 168 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 9
Rotatable bonds: 8
Heavy atoms: 32
Formal charge: 0
Complexity: 406

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Compound notes

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