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14802-41-6 molecular structure
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2-[(E)-2-(pyridin-4-yl)ethenyl]pyridine

ChemBase ID: 150411
Molecular Formular: C12H10N2
Molecular Mass: 182.2212
Monoisotopic Mass: 182.08439833
SMILES and InChIs

SMILES:
c1ccnc(c1)/C=C/c1ccncc1
Canonical SMILES:
n1ccc(cc1)/C=C/c1ccccn1
InChI:
InChI=1S/C12H10N2/c1-2-8-14-12(3-1)5-4-11-6-9-13-10-7-11/h1-10H/b5-4+
InChIKey:
RETWYDZOYDJBIX-SNAWJCMRSA-N

Cite this record

CBID:150411 http://www.chembase.cn/molecule-150411.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
IUPAC Traditional name
2-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
Synonyms
trans-1-(2-Pyridyl)-2-(4-pyridyl)-ethylene
反-1-(2-吡啶基)-2-(4-吡啶基)乙烯
CAS Number
14802-41-6
EC Number
238-866-9
MDL Number
MFCD00006357
PubChem SID
162244572
24851830
PubChem CID
6303920

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
197459 external link Add to cart Please log in.
Data Source Data ID
PubChem 6303920 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8953215  LogD (pH = 7.4) 2.1080127 
Log P 2.111403  Molar Refractivity 56.7519 cm3
Polarizability 21.755383 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
70-72 °C(lit.) 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
26-37/39 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
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C12H10N2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 197459 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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