Cas no 6972-48-1 (1-Propanone,2-methyl-1-(6-methyl-2-pyridinyl)-)
6972-48-1 structure
Product Name:1-Propanone,2-methyl-1-(6-methyl-2-pyridinyl)-
CAS No:6972-48-1
MF:C10H13NO
MW:163.216322660446
CID:530038
PubChem ID:247476
Update Time:2025-04-19
1-Propanone,2-methyl-1-(6-methyl-2-pyridinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanone,2-methyl-1-(6-methyl-2-pyridinyl)-
- 2-methyl-1-(6-methylpyridin-2-yl)propan-1-one
- DTXSID70289587
- NSC 62101
- NSC62101
- 6972-48-1
- NSC-62101
- AKOS012863352
- SCHEMBL2605492
-
- Inchi： 1S/C10H13NO/c1-7(2)10(12)9-6-4-5-8(3)11-9/h4-7H,1-3H3
- InChI Key： FKJOHLIWUYDPBP-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=C(C)N=1)C(C)C
Computed Properties
- Exact Mass: 163.09979
- Monoisotopic Mass: 163.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 165
- 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: 2.3
- Topological Polar Surface Area: 30?2
Experimental Properties
- Density: 0.996
- Boiling Point: 239.6°Cat760mmHg
- Flash Point: 104.7°C
- Refractive Index: 1.502
- PSA: 29.96
- LogP: 2.22870
1-Propanone,2-methyl-1-(6-methyl-2-pyridinyl)- Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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