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90872-72-3 molecular structure
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2-methyl-5-(pyrrolidin-2-yl)pyridine

ChemBase ID: 174068
Molecular Formular: C10H14N2
Molecular Mass: 162.23156
Monoisotopic Mass: 162.11569846
SMILES and InChIs

SMILES:
c1c(ncc(c1)C1CCCN1)C
Canonical SMILES:
Cc1ccc(cn1)C1CCCN1
InChI:
InChI=1S/C10H14N2/c1-8-4-5-9(7-12-8)10-3-2-6-11-10/h4-5,7,10-11H,2-3,6H2,1H3
InChIKey:
WZVVISVPTUREQN-UHFFFAOYSA-N

Cite this record

CBID:174068 http://www.chembase.cn/molecule-174068.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-5-(pyrrolidin-2-yl)pyridine
IUPAC Traditional name
2-methyl-5-(pyrrolidin-2-yl)pyridine
Synonyms
2-Methyl-5-(2-pyrrolidinyl)-pyridine
5-(2-Pyrrolidinyl)-2-picoline
6-Methyl Nornicotine
CAS Number
90872-72-3
PubChem SID
164229978
PubChem CID
12749684

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC M325833 external link Add to cart
PubChem 12749684 external link
Data Source Data ID Price
TRC
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Data Source Data ID
PubChem 12749684 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.3270142  LogD (pH = 7.4) -1.8038532 
Log P 0.9108569  Molar Refractivity 48.9518 cm3
Polarizability 19.370295 Å3 Polar Surface Area 24.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
Ether expand Show data source
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
Colourless Oil expand Show data source
Melting Point
65-70°C expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC

REFERENCES

REFERENCES

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  • • Yamamoto, I., et al.: Agr. Biol. Chem., 27, 446 (1963)
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PATENTS

PATENTS

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INTERNET

INTERNET

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