Cas no 5805-25-4 (2-tridecyl-1H-benzimidazole)
2-tridecyl-1H-benzimidazole structure
Product Name:2-tridecyl-1H-benzimidazole
CAS No:5805-25-4
MF:C20H32N2
MW:300.481485366821
CID:1608123
PubChem ID:252337
Update Time:2025-04-21
2-tridecyl-1H-benzimidazole Chemical and Physical Properties
Names and Identifiers
-
- 2-tridecyl-1H-benzimidazole
- 1H-benzimidazole, 2-tridecyl-
- NSC74054
- CHEMBL169212
- NSC-74054
- BDBM50404936
- SCHEMBL3166862
- DTXSID10973630
- 5805-25-4
- AKOS024349850
-
- Inchi： 1S/C20H32N2/c1-2-3-4-5-6-7-8-9-10-11-12-17-20-21-18-15-13-14-16-19(18)22-20/h13-16H,2-12,17H2,1H3,(H,21,22)
- InChI Key： OZRZZNNKEBHRGQ-UHFFFAOYSA-N
- SMILES： N1C2C=CC=CC=2N=C1CCCCCCCCCCCCC
Computed Properties
- Exact Mass: 300.25676
- Monoisotopic Mass: 300.257
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 12
- Complexity: 266
- 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: 7.9
- Topological Polar Surface Area: 28.7?2
Experimental Properties
- Density: 0.97
- Boiling Point: 465.4°C at 760 mmHg
- Flash Point: 225.5°C
- Refractive Index: 1.54
- PSA: 28.68
2-tridecyl-1H-benzimidazole Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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