Cas no 98396-32-8 (1H-Benzimidazole,6-butyl-2-methyl-)
98396-32-8 structure
Product Name:1H-Benzimidazole,6-butyl-2-methyl-
CAS No:98396-32-8
MF:C12H16N2
MW:188.268842697144
CID:801759
Update Time:2024-02-01
1H-Benzimidazole,6-butyl-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole,6-butyl-2-methyl-
- 1H-Benzimidazole,5-butyl-2-methyl-(9CI)
- 5-butyl-2-methyl-1(3)H-benzoimidazole
- 1H-Benzimidazole, 6-butyl-2-methyl-
-
- Inchi： 1S/C12H16N2/c1-3-4-5-10-6-7-11-12(8-10)14-9(2)13-11/h6-8H,3-5H2,1-2H3,(H,13,14)
- InChI Key： IIXAYSVKVSNHOA-UHFFFAOYSA-N
- SMILES： C1(C)NC2=CC(CCCC)=CC=C2N=1
Computed Properties
- Exact Mass: 188.131
- Monoisotopic Mass: 188.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 181
- 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: 3.8
- Topological Polar Surface Area: 28.7A^2
Experimental Properties
- Density: 1.062±0.06 g/cm3(Predicted)
- Boiling Point: 373.8±11.0 °C(Predicted)
- pka: 12.27±0.10(Predicted)
1H-Benzimidazole,6-butyl-2-methyl- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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4. 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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