Ethanol, 2,2'-((4-isobutoxy-3-nitrobenzyl)imino)di-, hydrochloride

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Basic information

CAS: 77905-49-8
Standard SMILES: CC(C)COc1ccc(C[NH+](CCO)CCO)cc1[N+](=O)[O-].[Cl-]
InChIKey: IILZWSKMOXRWIW-UHFFFAOYSA-N
Molecular formula: C15H25ClN2O5
Average molar mass: 348.82 g/mol
Monoisotopic mass: 348.1451996

Names & identifiers

Preferred name: Ethanol, 2,2'-((4-isobutoxy-3-nitrobenzyl)imino)di-, hydrochloride
IUPAC: bis(2-hydroxyethyl)-[[4-(2-methylpropoxy)-3-nitrophenyl]methyl]azanium chloride

Names & synonyms

2,2'-((4-Isobutoxy-3-nitrobenzyl)imino)diethanol hydrochloride77905-49-84-Isobutoxy-3-nitrobenzyl-bis(2-hydroxyethyl)amine hydrochlorideETHANOL, 2,2'-((4-ISOBUTOXY-3-NITROBENZYL)IMINO)DI-, HYDROCHLORIDERefChem:340685

Database identifiers

CAS: 77905-49-8
PubChem CID: 53819

Properties

Computed structural properties

Topological polar surface area: 100 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 9
Heavy atoms: 23
Formal charge: 0
Complexity: 316

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Compound notes

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