Cas no 1904-16-1 (1-Pyrrolidinepropanol,2,5-dimethyl-)
1904-16-1 structure
Product Name:1-Pyrrolidinepropanol,2,5-dimethyl-
1-Pyrrolidinepropanol,2,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Pyrrolidinepropanol,2,5-dimethyl-
- 2,5-dimethylpyrrolidine-1-propanol
- 3-(2,5-dimethylpyrrolidin-1-yl)propan-1-ol
- Einecs 217-603-1
- 2,5-Dimethyl-1-pyrrolidine-1-propanol
- SCHEMBL5723633
- NS00045627
- NAXTXBAUPVGPMV-UHFFFAOYSA-N
- DTXSID40940597
- N-(3-hydroxypropyl)-2,5-dimethylpyrrolidine
- 1904-16-1
-
- Inchi： 1S/C9H19NO/c1-8-4-5-9(2)10(8)6-3-7-11/h8-9,11H,3-7H2,1-2H3
- InChI Key： NAXTXBAUPVGPMV-UHFFFAOYSA-N
- SMILES： OCCCN1C(C)CCC1C
Computed Properties
- Exact Mass: 157.14677
- Monoisotopic Mass: 157.146664
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 106
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 23.5
- XLogP3: 1.3
Experimental Properties
- Density: 0.917
- Boiling Point: 237.4°Cat760mmHg
- Flash Point: 94.5°C
- Refractive Index: 1.459
- PSA: 23.47
1-Pyrrolidinepropanol,2,5-dimethyl- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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