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494-98-4

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Basic Information
CAS No.: 494-98-4
Name: b-Nornicotyrine
Molecular Structure:
Molecular Structure of 494-98-4 (b-Nornicotyrine)
Formula: C9H8N2
Molecular Weight: 144.176
Synonyms: Beta-Nornicotyrine;Pyridine,3-pyrrol-2-yl;3-Pyrrol-2-ylpyridine;nornicotyrine;
Density: 1.141g/cm3
Melting Point: 98-99oC
Boiling Point: 333.7°Cat760mmHg
Flash Point: 152.5°C
Safety: Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.
PSA: 28.68000
LogP: 2.07670
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Chemistry

Molecule structure of 3-Pyrrol-2-ylpyridine (CAS NO.494-98-4) :

IUPAC Name: 3-(1H-pyrrol-2-yl)pyridine 
Molecular Weight: 144.17322 g/mol
Molecular Formula: C9H8N2 
Density: 1.141 g/cm3 
Melting Point: 98-99 °C
Boiling Point: 333.7 °C at 760 mmHg 
Flash Point: 152.5 °C
Appreance: light grey brown solid
Molar Volume: 126.2 cm3
Polarizability: 17.19*10-24 cm3
Surface Tension: 49.1 dyne/cm 
Enthalpy of Vaporization: 55.37 kJ/mol
Vapour Pressure: 0.00026 mmHg at 25 °C
XLogP3-AA: 1.3
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Exact Mass: 144.068748
MonoIsotopic Mass: 144.068748
Topological Polar Surface Area: 28.7
Heavy Atom Count: 11
Complexity: 125
Canonical SMILES: C1=CC(=CN=C1)C2=CC=CN2
InChI: InChI=1S/C9H8N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1-7,11H
InChIKey: CBTWKRLUNDZXIF-UHFFFAOYSA-N
Product Categories of 3-Pyrrol-2-ylpyridine (CAS NO.494-98-4) : Nicotine Derivatives

Safety Profile

Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.

Specification

 3-Pyrrol-2-ylpyridine (CAS NO.494-98-4) is also called 5-23-07-00227 (Beilstein Handbook Reference) ; BRN 0113590 ; Nornicotyrine ; Pyridine, 3-(1H-pyrrol-2-yl)- (9CI) ; Pyridine, 3-pyrrol-2-yl- .