Cas no 618067-86-0 (3-Pyrrolidinol,1-(1-methylethyl)-,(3S)-(9CI))
618067-86-0 structure
Product Name:3-Pyrrolidinol,1-(1-methylethyl)-,(3S)-(9CI)
CAS No:618067-86-0
MF:C7H15NO
MW:129.200102090836
CID:1020810
PubChem ID:11309522
Update Time:2025-04-20
3-Pyrrolidinol,1-(1-methylethyl)-,(3S)-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyrrolidinol,1-(1-methylethyl)-,(3S)-(9CI)
- I0430
- 1-Isopropyl-3-pyrrolidinol
- 618067-86-0
- F14624
- AS-47608
- AKOS009159193
- DTXSID00461839
- MYFPIRLHESHOGR-UHFFFAOYSA-N
- SCHEMBL105168
- A872829
- 1-propan-2-ylpyrrolidin-3-ol
- 929193-82-8
- MFCD00191525
- (3r)-1-isopropylpyrrolidin-3-ol
- (3S)-1-ISOPROPYLPYRROLIDIN-3-OL
- 1-Isopropyl-3-hydroxypyrrolidine
- 1-isopropylpyrrolidin-3-ol
- 42729-56-6
- CS-0205285
-
- Inchi： 1S/C7H15NO/c1-6(2)8-4-3-7(9)5-8/h6-7,9H,3-5H2,1-2H3
- InChI Key： MYFPIRLHESHOGR-UHFFFAOYSA-N
- SMILES： OC1CCN(C(C)C)C1
Computed Properties
- Exact Mass: 129.115
- Monoisotopic Mass: 129.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 92.9
- 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
- Topological Polar Surface Area: 23.5A^2
- XLogP3: 0.6
3-Pyrrolidinol,1-(1-methylethyl)-,(3S)-(9CI) Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
618067-86-0 (3-Pyrrolidinol,1-(1-methylethyl)-,(3S)-(9CI)) Related Products
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