Cas no 745741-85-9 (1,2-Propanediol,3-(1H-imidazol-1-yl)-, (2S)-)
745741-85-9 structure
Product Name:1,2-Propanediol,3-(1H-imidazol-1-yl)-, (2S)-
CAS No:745741-85-9
MF:C6H10N2O2
MW:142.155801296234
CID:560718
PubChem ID:18606123
Update Time:2025-04-19
1,2-Propanediol,3-(1H-imidazol-1-yl)-, (2S)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Propanediol,3-(1H-imidazol-1-yl)-, (2S)-
- 1,2-Propanediol,3-(1H-imidazol-1-yl)-, (S)- (9CI)
- SCHEMBL10730735
- 745741-85-9
- (S)-3-(1H-Imidazol-1-yl)propane-1,2-diol
-
- Inchi： 1S/C6H10N2O2/c9-4-6(10)3-8-2-1-7-5-8/h1-2,5-6,9-10H,3-4H2/t6-/m0/s1
- InChI Key： RHLDLEHHTWLRFG-LURJTMIESA-N
- SMILES： O[C@H](CO)CN1C=NC=C1
Computed Properties
- Exact Mass: 142.074227566g/mol
- Monoisotopic Mass: 142.074227566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 99.7
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.4
- Topological Polar Surface Area: 58.3?2
1,2-Propanediol,3-(1H-imidazol-1-yl)-, (2S)- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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