Cas no 90642-86-7 (g-methyl-2-Pyridinepropanol)
g-methyl-2-Pyridinepropanol structure
Product Name:g-methyl-2-Pyridinepropanol
CAS No:90642-86-7
MF:C9H13NO
MW:151.205622434616
CID:3162701
Update Time:2025-04-21
g-methyl-2-Pyridinepropanol Chemical and Physical Properties
Names and Identifiers
-
- g-methyl-2-Pyridinepropanol
- 2-Pyridinepropanol, γ-methyl-
-
- Inchi： 1S/C9H13NO/c1-8(5-7-11)9-4-2-3-6-10-9/h2-4,6,8,11H,5,7H2,1H3
- InChI Key： RHHHFZZUHVYAFL-UHFFFAOYSA-N
- SMILES： C1(C(C)CCO)=NC=CC=C1
Computed Properties
- Exact Mass: 151.1
- Monoisotopic Mass: 151.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 106
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 33.1A^2
Experimental Properties
- Density: 1.030±0.06 g/cm3(Predicted)
- Boiling Point: 250.6±15.0 °C(Predicted)
- pka: 14.94±0.10(Predicted)
g-methyl-2-Pyridinepropanol Related Literature
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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