Cas no 71589-38-3 (1-Propanone,1-(1H-benzimidazol-1-yl)-)
71589-38-3 structure
Product Name:1-Propanone,1-(1H-benzimidazol-1-yl)-
CAS No:71589-38-3
MF:C10H10N2O
MW:174.199202060699
CID:548336
Update Time:2024-03-05
1-Propanone,1-(1H-benzimidazol-1-yl)- Chemical and Physical Properties
Names and Identifiers
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- 1-Propanone,1-(1H-benzimidazol-1-yl)-
- 1H-Benzimidazole,1-(1-oxopropyl)-(9CI)
- Benzimidazole, 1-propionyl- (3CI)
- N-Propionylbenzimidazole
- 1-Propanone, 1-(1H-benzimidazol-1-yl)-
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- Inchi： 1S/C10H10N2O/c1-2-10(13)12-7-11-8-5-3-4-6-9(8)12/h3-7H,2H2,1H3
- InChI Key： MBFUPPMOPDBQGJ-UHFFFAOYSA-N
- SMILES： C(N1C=NC2=CC=CC=C21)(=O)CC
Computed Properties
- Exact Mass: 174.0794
- Monoisotopic Mass: 174.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 205
- 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
Experimental Properties
- Density: 1.17±0.1 g/cm3(Predicted)
- Melting Point: 125 °C
- Boiling Point: 318.7±25.0 °C(Predicted)
- PSA: 34.89
- pka: 2.52±0.10(Predicted)
1-Propanone,1-(1H-benzimidazol-1-yl)- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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