2-[(E)-2-(4-hydrazinylphenyl)ethenyl]pyridine dihydrochloride

• ChemBase ID: 156562
• Molecular Formular: C13H15Cl2N3
• Molecular Mass: 284.1843
• Monoisotopic Mass: 283.06430286
• SMILES: c1ccnc(c1)/C=C/c1ccc(cc1)NN.Cl.Cl
• Canonical SMILES: NNc1ccc(cc1)/C=C/c1ccccn1.Cl.Cl
• InChI: InChI=1S/C13H13N3.2ClH/c14-16-13-8-5-11(6-9-13)4-7-12-3-1-2-10-15-12;;/h1-10,16H,14H2;2*1H/b7-4+
• InChIKey: BOOKSTAPQSFAJS-RDRKJGRWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(E)-2-(4-hydrazinylphenyl)ethenyl]pyridine dihydrochloride
• IUPAC Traditional name: 2-[(E)-2-(4-hydrazinylphenyl)ethenyl]pyridine dihydrochloride
• Synonyms: trans-2-[2-(4-Hydrazinophenyl)vinyl]pyridine dihydrochloride; trans-4′-Hydrazino-2-stilbazole dihydrochloride

Database IDs

• CAS Number: 211986-67-3
• MDL Number: MFCD00060192
• Beilstein Number: 8084867
• PubChem SID: 162250699; 24878372
• PubChem CID: 16217023

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.4417706
• LogD (pH = 7.4): 2.7163167
• Log P: 2.7207181
• Molar Refractivity: 68.6155 cm^3
• Polarizability: 25.217144 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 115-119 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥85% (AT)
• Grade: for fluorescence (in analytical separation methods); p.a.
• Suitability: in accordance for fluorescence
• Empirical Formula (Hill Notation): C13H13N3 · 2HCl

DETAILS

Sigma Aldrich - 53897

Other Notes
Reagent for the fluorometric determination of aldehydes and ketones after electrophoresis or HPLC1,2