Cas no 923944-42-7 (1,3-Propanediol, 2-methyl-2-(1-piperazinyl)-)
923944-42-7 structure
Product Name:1,3-Propanediol, 2-methyl-2-(1-piperazinyl)-
CAS No:923944-42-7
MF:C8H18N2O2
MW:174.240722179413
CID:736352
PubChem ID:71445568
Update Time:2025-04-19
1,3-Propanediol, 2-methyl-2-(1-piperazinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol, 2-methyl-2-(1-piperazinyl)-
- 2-methyl-2-piperazin-1-ylpropane-1,3-diol
- 923944-42-7
- 2-Methyl-2-(piperazin-1-yl)propane-1,3-diol
- DTXSID40854084
-
- Inchi： 1S/C8H18N2O2/c1-8(6-11,7-12)10-4-2-9-3-5-10/h9,11-12H,2-7H2,1H3
- InChI Key： YHOTUUCAAQALLL-UHFFFAOYSA-N
- SMILES： OCC(C)(CO)N1CCNCC1
Computed Properties
- Exact Mass: 174.136827821g/mol
- Monoisotopic Mass: 174.136827821g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 131
- 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
- XLogP3: -1.5
- Topological Polar Surface Area: 55.7?2
1,3-Propanediol, 2-methyl-2-(1-piperazinyl)- Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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2. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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