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1762-34-1 molecular structure
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5-methyl-2-(5-methylpyridin-2-yl)pyridine

ChemBase ID: 150146
Molecular Formular: C12H12N2
Molecular Mass: 184.23708
Monoisotopic Mass: 184.10004839
SMILES and InChIs

SMILES:
Cc1ccc(nc1)c1ccc(cn1)C
Canonical SMILES:
Cc1ccc(nc1)c1ccc(cn1)C
InChI:
InChI=1S/C12H12N2/c1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12/h3-8H,1-2H3
InChIKey:
PTRATZCAGVBFIQ-UHFFFAOYSA-N

Cite this record

CBID:150146 http://www.chembase.cn/molecule-150146.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methyl-2-(5-methylpyridin-2-yl)pyridine
IUPAC Traditional name
5-methyl-2-(5-methylpyridin-2-yl)pyridine
Synonyms
5,5'-Dimethyl-2,2'-bipyridine
5,5'-Dimethyl-2,2'-dipyridyl
5,5'-Dimethyl-2,2'-bipyridine
5,5′-Dimethyl-2,2′-bipyridine
5,5′-Dimethyl-2,2′-dipyridyl
5,5'-二甲基-2,2'-联吡啶
3,3'-二甲基-6,6'-联吡啶
5,5′-二甲基-2,2′-联吡啶
CAS Number
1762-34-1
MDL Number
MFCD01740554
PubChem SID
24873670
162244307
PubChem CID
15664

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.975476  LogD (pH = 7.4) 2.9835656 
Log P 2.9836698  Molar Refractivity 56.2188 cm3
Polarizability 23.103964 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
114-117 °C(lit.) expand Show data source
114-117°C expand Show data source
Boiling Point
140°C/3mm expand Show data source
RTECS
DW1766000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C12H12N2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 513040 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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