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4593-27-5 molecular structure
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2-(3,4-dihydro-2H-pyrrol-5-yl)pyridine

ChemBase ID: 174884
Molecular Formular: C9H10N2
Molecular Mass: 146.1891
Monoisotopic Mass: 146.08439833
SMILES and InChIs

SMILES:
c1cnc(cc1)C1=NCCC1
Canonical SMILES:
c1ccc(nc1)C1=NCCC1
InChI:
InChI=1S/C9H10N2/c1-2-6-10-8(4-1)9-5-3-7-11-9/h1-2,4,6H,3,5,7H2
InChIKey:
NVYOSBQIPCBNNK-UHFFFAOYSA-N

Cite this record

CBID:174884 http://www.chembase.cn/molecule-174884.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3,4-dihydro-2H-pyrrol-5-yl)pyridine
IUPAC Traditional name
2-(4,5-dihydro-3H-pyrrol-2-yl)pyridine
Synonyms
2-(3,4-Dihydro-2H-pyrrol-5-yl)pyridine
2-(1-Pyrrolin-2-yl)pyridine
Apoferrorosamine
NSC 210764
Ortho-Myosmine
o-Myosmine
CAS Number
4593-27-5
PubChem SID
164230794
PubChem CID
308729

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M834975 external link Add to cart
PubChem 308729 external link
Data Source Data ID Price
TRC
M834975 external link Add to cart Please log in.
Data Source Data ID
PubChem 308729 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0382371  LogD (pH = 7.4) 1.1606053 
Log P 1.1624118  Molar Refractivity 43.781 cm3
Polarizability 16.79143 Å3 Polar Surface Area 25.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
Off-White to Brown Solid expand Show data source
Melting Point
45-46°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M834975 external link
o-Myosmine is a nicotine derivative.

REFERENCES

REFERENCES

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  • • Jacob, P., et al.: J. Chromatogr., 583, 145 (1992)
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PATENTS

PATENTS

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INTERNET

INTERNET

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