Cas no 7479-04-1 (1H-Benzimidazole,2-butyl-6-methyl-)
7479-04-1 structure
Product Name:1H-Benzimidazole,2-butyl-6-methyl-
CAS No:7479-04-1
MF:C12H16N2
MW:188.268842697144
CID:580605
PubChem ID:344589
Update Time:2025-04-19
1H-Benzimidazole,2-butyl-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole,2-butyl-6-methyl-
- 1H-Benzimidazole,2-butyl-6-methyl-; SureCN9720977; AC1L80WE; AKOS002792666; SureCN9720980; CTK5E0520; AG-G-97629; NSC401577; 2-butyl-5-methyl-1H-benzimidazole;
- 2-butyl-5-methylbenzi-midazole
- 2-butyl-6-methyl-1H-benzimidazole
- SCHEMBL9720977
- NSC-401577
- DTXSID90322581
- NSC401577
- AKOS002792666
- 7479-04-1
-
- Inchi： 1S/C12H16N2/c1-3-4-5-12-13-10-7-6-9(2)8-11(10)14-12/h6-8H,3-5H2,1-2H3,(H,13,14)
- InChI Key： PKWBIPJGJPPPOB-UHFFFAOYSA-N
- SMILES： N1C2C=C(C)C=CC=2N=C1CCCC
Computed Properties
- Exact Mass: 188.13148
- 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: 3.4
- Topological Polar Surface Area: 28.7?2
Experimental Properties
- Density: 1.062
- Boiling Point: 373.8°C at 760 mmHg
- Flash Point: 188.4°C
- Refractive Index: 1.595
- PSA: 28.68
1H-Benzimidazole,2-butyl-6-methyl- Related Literature
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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