Cas no 55740-80-2 ((S)-3-(1-methylpropyl)-Pyridine)

(S)-3-(1-methylpropyl)-Pyridine structure
55740-80-2 structure
Product Name:(S)-3-(1-methylpropyl)-Pyridine
CAS No:55740-80-2
MF:C8H11N
MW:121.179641962051
CID:377421
PubChem ID:221132
Update Time:2025-04-19

(S)-3-(1-methylpropyl)-Pyridine Chemical and Physical Properties

Names and Identifiers

    • (S)-3-(1-methylpropyl)-Pyridine
    • (S)-3-(isopropyl)pyridine
    • Pyridine,3-(1-methylpropyl)-, (S)- (9CI)
    • 3-(propan-2-yl)pyridine
    • 3-propan-2-ylpyridine
    • NS00033378
    • 3-isopropylpyridine
    • EINECS 259-783-4
    • NSC5099
    • 55740-80-2
    • DTXSID90204292
    • NSC-42616
    • 3-(prop-2-yl)pyridine
    • NSC-5099
    • 6304-18-3
    • pyridine, 3-isopropyl-
    • SCHEMBL10236
    • Pyridine, 3-(1-methylethyl)-
    • NSC42616
    • Inchi: 1S/C8H11N/c1-7(2)8-4-3-5-9-6-8/h3-7H,1-2H3
    • InChI Key: PUACTIIESPYWSI-UHFFFAOYSA-N
    • SMILES: N1C=CC=C(C=1)C(C)C

Computed Properties

  • Exact Mass: 121.089149
  • Monoisotopic Mass: 121.089149
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 78.6
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 12.9

Experimental Properties

  • Density: 0.912
  • Boiling Point: 177.1°Cat760mmHg
  • Flash Point: 54.7°C
  • Refractive Index: 1.492
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