Cas no 127590-89-0 (Pyridine,2-(chloromethyl)-5-propoxy-)
127590-89-0 structure
Product Name:Pyridine,2-(chloromethyl)-5-propoxy-
CAS No:127590-89-0
MF:C9H12ClNO
MW:185.650681495667
CID:103130
PubChem ID:53249268
Update Time:2025-04-18
Pyridine,2-(chloromethyl)-5-propoxy- Chemical and Physical Properties
Names and Identifiers
-
- Pyridine,2-(chloromethyl)-5-propoxy-
- 2-(chloromethyl)-5-propoxypyridine
- 127590-89-0
- AKOS017580608
- DTXSID50692919
-
- Inchi： 1S/C9H12ClNO/c1-2-5-12-9-4-3-8(6-10)11-7-9/h3-4,7H,2,5-6H2,1H3
- InChI Key： WCVQBWRMLQWOPS-UHFFFAOYSA-N
- SMILES： ClCC1C=CC(=CN=1)OCCC
Computed Properties
- Exact Mass: 185.06086
- Monoisotopic Mass: 185.061
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 121
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.1
- Topological Polar Surface Area: 22.1A^2
Experimental Properties
- PSA: 22.12
Pyridine,2-(chloromethyl)-5-propoxy- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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