Cas no 502651-82-3 (1H-Benzimidazole-1-pentanoic acid)
502651-82-3 structure
Product Name:1H-Benzimidazole-1-pentanoic acid
CAS No:502651-82-3
MF:C12H14N2O2
MW:218.251762866974
CID:1113132
Update Time:2024-07-24
1H-Benzimidazole-1-pentanoic acid Chemical and Physical Properties
Names and Identifiers
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- 1H-Benzimidazole-1-pentanoic acid
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- Inchi： 1S/C12H14N2O2/c15-12(16)7-3-4-8-14-9-13-10-5-1-2-6-11(10)14/h1-2,5-6,9H,3-4,7-8H2,(H,15,16)
- InChI Key： SNRZCUMYDKVSQT-UHFFFAOYSA-N
- SMILES： C1N(CCCCC(O)=O)C2=CC=CC=C2N=1
Computed Properties
- Exact Mass: 218.10562
Experimental Properties
- Density: 1.22±0.1 g/cm3(Predicted)
- Boiling Point: 435.4±47.0 °C(Predicted)
- PSA: 55.12
- pka: 4.68±0.10(Predicted)
1H-Benzimidazole-1-pentanoic acid Related Literature
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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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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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