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CAS Number: 51227-29-3
2-methyl-1-(pyridin-3-yl)propan-1-one

Structure

 2-methyl-1-(pyridin-3-yl)propan-1-one
Name: 2-methyl-1-(pyridin-3-yl)propan-1-one
Synonyms:
General Information
Product Number: 51227293

CAS Registry Number 51227-29-3
Name:
1-?Propanone, 2-?methyl-?1-?(3-?pyridinyl)?-
3-Pyridyl isopropyl ketone
Isopropyl (pyridin-3-yl) ketone
Isopropyl 3-pyridyl ketone

 

Chemical Formula: C9H11NO
Exact Mass: 149.08
Molecular Weight: 149.19
m/z: 149.08 (100.0%), 150.09 (9.9%)

 

InChI:InChI=1S/C9H11NO/c1-7(2)9(11)8-4-3-5-10-6-8/h3-7H,1-2H3

InChI Key:TWDULYDQIGVEKY-UHFFFAOYSA-N

Canonical SMILES:CC(C)C(=O)C1=CN=CC=C1

 

Thermal Properties Value Condition Note
Boiling Point 108-112 °C Press: 3 Torr (1)CAS
Boiling Point 70-71 °C Press: 2 Torr (2)IC
Boiling Point 65 °C Press: 0.2 Torr (3)IC
Boiling Point 60 °C Press: 0.6 Torr (4)IC

Specification

98%
References
  1. (1) Anderson, Bruce M.; Journal of Biological Chemistry 1959, V234, P1219-25 CAPLUS
  2. (2) Terao, Shinji; EP 273647 A1 1988 CAPLUS
  3. (3) Schoellkopf, Ulrich; Justus Liebigs Annalen der Chemie 1976, (5), P969-77 CAPLUS
  4. (4) Rubina, K.; Synthetic Communications 1989, V19(13-14), P2489-99 CAPLUS
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