Cas no 36663-34-0 (1,3-Propanediol,1-(1H-benzimidazol-2-yl)-)
36663-34-0 structure
Product Name:1,3-Propanediol,1-(1H-benzimidazol-2-yl)-
CAS No:36663-34-0
MF:C10H12N2O2
MW:192.214482307434
CID:296413
Update Time:2022-07-26
1,3-Propanediol,1-(1H-benzimidazol-2-yl)- Chemical and Physical Properties
Names and Identifiers
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- 1,3-Propanediol,1-(1H-benzimidazol-2-yl)-
- 2-(1,3-Dihydroxypropyl)benzimidazole
- 1,3-Propanediol,1-(1H-benzimidazol-2-yl)-(9CI)
- 1,3-Propanediol, 1-(1H-benzimidazol-2-yl)-
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- Inchi： 1S/C10H12N2O2/c13-6-5-9(14)10-11-7-3-1-2-4-8(7)12-10/h1-4,9,13-14H,5-6H2,(H,11,12)
- InChI Key： SRPUABHQROKWQW-UHFFFAOYSA-N
- SMILES： C(C1NC2=CC=CC=C2N=1)(O)CCO
Computed Properties
- Exact Mass: 192.09
- Monoisotopic Mass: 192.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 189
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 69.1A^2
1,3-Propanediol,1-(1H-benzimidazol-2-yl)- Related Literature
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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