Product Name

  • Name

    1-(4-Pyridinyl)pentane-1-one

  • EINECS
  • CAS No. 1701-73-1
  • Article Data10
  • CAS DataBase
  • Density 0.997g/cm3
  • Solubility
  • Melting Point
  • Formula C10H13 N O
  • Boiling Point 264°Cat760mmHg
  • Molecular Weight 163.24
  • Flash Point 120.4°C
  • Transport Information
  • Appearance
  • Safety A poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 1701-73-1 (1-(4-Pyridinyl)pentane-1-one)
  • Hazard Symbols
  • Synonyms 1-Pentanone,1-(4-pyridyl)- (7CI,8CI); 1-(4-Pyridyl)-1-pentanone
  • PSA 29.96000
  • LogP 2.45450

4-Valerylpyridine Chemical Properties

Molecule structure of 4-Valerylpyridine (CAS NO.1701-73-1):

IUPAC Name: 1-Pyridin-4-ylpentan-1-one 
Molecular Weight: 163.21632 g/mol
Molecular Formula: C10H13NO 
Density: 0.997 g/cm3 
Boiling Point: 264 °C at 760 mmHg 
Flash Point: 120.4 °C
Index of Refraction: 1.501
Molar Refractivity: 48.27 cm3
Molar Volume: 163.7 cm3
Polarizability: 19.13×10-24 cm3
Surface Tension: 37.8 dyne/cm 
Enthalpy of Vaporization: 50.18 kJ/mol
Vapour Pressure: 0.00998 mmHg at 25 °C
XLogP3: 1.7
H-Bond Acceptor: 2
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 163.099714
MonoIsotopic Mass: 163.099714
Topological Polar Surface Area: 30
Heavy Atom Count: 12 
Complexity: 139
Canonical SMILES: CCCCC(=O)C1=CC=NC=C1
InChI: InChI=1S/C10H13NO/c1-2-3-4-10(12)9-5-7-11-8-6-9/h5-8H,2-4H2,1H3
InChIKey 4-Valerylpyridine (CAS NO.1701-73-1): AZZKIOQLDYOUSM-UHFFFAOYSA-N

4-Valerylpyridine Toxicity Data With Reference

1.    

ipr-mus LD50:260 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 14 (1971),551.

4-Valerylpyridine Safety Profile

A poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.

4-Valerylpyridine Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

4-Valerylpyridine Specification

 4-Valerylpyridine (CAS NO.1701-73-1) is also named as 1-(4-Pyridyl)-1-pentanone ; 5-21-07-00448 (Beilstein Handbook Reference) ; BRN 0119692 ; Butyl 4-pyridyl ketone ; Ketone, butyl 4-pyridyl ; Pyridine, 4-valeryl- ; 1-Pentanone, 1-(4-pyridyl)- .

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