Cas no 14394-93-5 (2H-Benzimidazol-2-one,1,3-dihydro-1-(1-oxopropyl)-)
14394-93-5 structure
Product Name:2H-Benzimidazol-2-one,1,3-dihydro-1-(1-oxopropyl)-
CAS No:14394-93-5
MF:C10H10N2O2
MW:190.198602199554
CID:98736
Update Time:2024-01-24
2H-Benzimidazol-2-one,1,3-dihydro-1-(1-oxopropyl)- Chemical and Physical Properties
Names and Identifiers
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- 2H-Benzimidazol-2-one,1,3-dihydro-1-(1-oxopropyl)-
- 2-Benzimidazolinone,1-propionyl-(7CI,8CI)
- 2H-Benzimidazol-2-one, 1,3-dihydro-1-(1-oxopropyl)-
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- Inchi： 1S/C10H10N2O2/c1-2-9(13)12-8-6-4-3-5-7(8)11-10(12)14/h3-6H,2H2,1H3,(H,11,14)
- InChI Key： FLGFXKJXCJELJW-UHFFFAOYSA-N
- SMILES： C1(=O)N(C(=O)CC)C2=CC=CC=C2N1
Computed Properties
- Exact Mass: 189.06647
- Monoisotopic Mass: 190.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 265
- 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
- Topological Polar Surface Area: 49.4A^2
Experimental Properties
- Density: 1.269±0.06 g/cm3(Predicted)
- Melting Point: 181-183 °C(Solv: benzene (71-43-2))
- PSA: 51.96
- pka: 10.54±0.30(Predicted)
2H-Benzimidazol-2-one,1,3-dihydro-1-(1-oxopropyl)- Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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