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32190-42-4 molecular structure
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2-[(2H4)pyridin-2-yl](2H4)pyridine

ChemBase ID: 151075
Molecular Formular: C10H8N2
Molecular Mass: 156.18392
Monoisotopic Mass: 156.06874827
SMILES and InChIs

SMILES:
c1ccnc(c1)c1ccccn1
Canonical SMILES:
c1ccc(nc1)c1ccccn1
InChI:
InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H
InChIKey:
ROFVEXUMMXZLPA-UHFFFAOYSA-N

Cite this record

CBID:151075 http://www.chembase.cn/molecule-151075.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(2H4)pyridin-2-yl](2H4)pyridine
IUPAC Traditional name
2-[(2H4)pyridin-2-yl](2H4)pyridine
Synonyms
2,2′-Bipyridyl-d8
2,2′-Dipyridyl-d8
2,2′-二吡啶-d8
2,2′-联吡啶-d8
CAS Number
32190-42-4
MDL Number
MFCD00190432
PubChem SID
162245233
24872653
PubChem CID
11378683

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
491306 external link Add to cart Please log in.
Data Source Data ID
PubChem 11378683 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9542185  LogD (pH = 7.4) 1.956794 
Log P 1.9568269  Molar Refractivity 46.1364 cm3
Polarizability 19.623108 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
70-73 °C(lit.) expand Show data source
Boiling Point
273 °C(lit.) expand Show data source
Mass Shift
M+8 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
2811 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
25-36/37/38 expand Show data source
Safety Statements
26-45 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301 + P310-P305 + P351 + P338 expand Show data source
RID/ADR
UN 2811 6.1/PG 3 expand Show data source
Isotopic Purity
98 atom % D expand Show data source
Mol. Weight
mol wt 164.07 by atom % calculation expand Show data source
Empirical Formula (Hill Notation)
C10D8N2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 491306 external link
Packaging
1 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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