Cas no 4887-85-8 (1H-Benzimidazole,1-butyl-2-methyl-)
4887-85-8 structure
Product Name:1H-Benzimidazole,1-butyl-2-methyl-
CAS No:4887-85-8
MF:C12H16N2
MW:188.268842697144
CID:332261
PubChem ID:335472
Update Time:2025-04-19
1H-Benzimidazole,1-butyl-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole,1-butyl-2-methyl-
- 1-butyl-2-methylbenzimidazole
- 1H-Benzimidazole,1-butyl-2-methyl-(9CI)
- 1-butyl-2-methyl-1H-benzo[d]imidazole
- 1-Butyl-2-methyl-1H-benzoimidazole
- 1-Butyl-2-methylbenzimidazol
- 1-n-butyl-2-methylbenzimidazole
- AC1L7HK7
- HMS1674P15
- NSC345180
- STOCK1S-01818
- SureCN1022300
- SCHEMBL1022300
- CHEMBL4870103
- NSC-345180
- Z57114915
- QFCMOFRLADNCHO-UHFFFAOYSA-N
- AKOS000560008
- 4887-85-8
- NSC 345180
- DTXSID30319415
-
- Inchi： 1S/C12H16N2/c1-3-4-9-14-10(2)13-11-7-5-6-8-12(11)14/h5-8H,3-4,9H2,1-2H3
- InChI Key： QFCMOFRLADNCHO-UHFFFAOYSA-N
- SMILES： N1(C(C)=NC2C=CC=CC1=2)CCCC
Computed Properties
- Exact Mass: 188.13148
- Monoisotopic Mass: 188.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- 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
- Topological Polar Surface Area: 17.8?2
Experimental Properties
- Density: 1.03
- Boiling Point: 328.3°C at 760 mmHg
- Flash Point: 152.4°C
- Refractive Index: 1.564
- PSA: 17.82
- LogP: 3.14480
1H-Benzimidazole,1-butyl-2-methyl- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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