Butyronitrile, 4-(dibutylamino)-, picrate

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Basic information

CAS: 73747-28-1
Standard SMILES: CCCC[NH+](CCCC)CCCC#N.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1
InChIKey: CHLOOOFCNOZETE-UHFFFAOYSA-N
Molecular formula: C18H27N5O7
Average molar mass: 425.4 g/mol
Monoisotopic mass: 425.19104822

Names & identifiers

Preferred name: Butyronitrile, 4-(dibutylamino)-, picrate
IUPAC: dibutyl(3-cyanopropyl)azanium;2,4,6-trinitrophenolate

Names & synonyms

BUTYRONITRILE, 4-(DIBUTYLAMINO)-, PICRATE73747-28-1DTXSID20224069RefChem:1080508DTXCID70146560NSC 89101N-butyl-N-(3-cyanopropyl)butan-1-aminium 2,4,6-trinitrophenolate

Database identifiers

CAS: 73747-28-1
PubChem CID: 52347
DTXSID: DTXSID20224069

Properties

Computed structural properties

Topological polar surface area: 189 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 9
Heavy atoms: 30
Formal charge: 0
Complexity: 441

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Compound notes

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