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211986-67-3 molecular structure
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2-[(E)-2-(4-hydrazinylphenyl)ethenyl]pyridine dihydrochloride

ChemBase ID: 156562
Molecular Formular: C13H15Cl2N3
Molecular Mass: 284.1843
Monoisotopic Mass: 283.06430286
SMILES and InChIs

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

Cite this record

CBID:156562 http://www.chembase.cn/molecule-156562.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
211986-67-3
MDL Number
MFCD00060192
Beilstein Number
8084867
PubChem SID
162250699
24878372
PubChem CID
16217023

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
53897 external link Add to cart Please log in.
Data Source Data ID
PubChem 16217023 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4417706  LogD (pH = 7.4) 2.7163167 
Log P 2.7207181  Molar Refractivity 68.6155 cm3
Polarizability 25.217144 Å3 Polar Surface Area 50.94 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
115-119 °C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥85% (AT) expand Show data source
Grade
for fluorescence (in analytical separation methods) expand Show data source
p.a. expand Show data source
Suitability
in accordance for fluorescence expand Show data source
Empirical Formula (Hill Notation)
C13H13N3 · 2HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 53897 external link
Other Notes
Reagent for the fluorometric determination of aldehydes and ketones after electrophoresis or HPLC1,2

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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