Cas no 36939-02-3 (1-Propanone,1-phenyl-3-(4-pyridinyl)-)
36939-02-3 structure
Product Name:1-Propanone,1-phenyl-3-(4-pyridinyl)-
CAS No:36939-02-3
MF:C14H13NO
MW:211.259123563766
CID:322552
PubChem ID:265162
Update Time:2025-04-19
1-Propanone,1-phenyl-3-(4-pyridinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanone,1-phenyl-3-(4-pyridinyl)-
- 1-phenyl-3-pyridin-4-ylpropan-1-one
- 1-phenyl-3-(pyridin-4-yl)propan-1-one
- AC1L6DD1
- AC1Q5F4H
- AR-1C5248
- CTK4H7430
- NCIOpen2_007017
- NSC100991
- SureCN4603533
- 36939-02-3
- AKOS017983727
- SCHEMBL4603533
- DTXSID10295288
- DZJBQKLCTJMZSJ-UHFFFAOYSA-N
- Isonicotinylbenzoylmethan
- NSC-100991
-
- Inchi： 1S/C14H13NO/c16-14(13-4-2-1-3-5-13)7-6-12-8-10-15-11-9-12/h1-5,8-11H,6-7H2
- InChI Key： DZJBQKLCTJMZSJ-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)CCC1C=CN=CC=1
Computed Properties
- Exact Mass: 211.09979
- Monoisotopic Mass: 211.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 215
- 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: 2.4
- Topological Polar Surface Area: 30?2
Experimental Properties
- Density: 1.103
- Boiling Point: 378.1°Cat760mmHg
- Flash Point: 189.8°C
- Refractive Index: 1.577
- PSA: 29.96
- LogP: 2.89710
1-Propanone,1-phenyl-3-(4-pyridinyl)- Related Literature
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
36939-02-3 (1-Propanone,1-phenyl-3-(4-pyridinyl)-) Related Products
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