Cas no 51856-76-9 (2-Pyrrolidineaceticacid, 1-methyl-, methyl ester (9CI))
51856-76-9 structure
Product Name:2-Pyrrolidineaceticacid, 1-methyl-, methyl ester (9CI)
CAS No:51856-76-9
MF:C8H15NO2
MW:157.210202455521
CID:377034
PubChem ID:103551
Update Time:2025-04-19
2-Pyrrolidineaceticacid, 1-methyl-, methyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrrolidineaceticacid, 1-methyl-, methyl ester (9CI)
- methyl 1-methylpyrrolidine-2-acetate
- methyl (1-methylpyrrolidin-2-yl)acetate
- DTXSID90966181
- NS00056922
- SCHEMBL4088784
- 51856-76-9
- EINECS 257-477-5
-
- Inchi： 1S/C8H15NO2/c1-9-5-3-4-7(9)6-8(10)11-2/h7H,3-6H2,1-2H3
- InChI Key： PVKLAMRUYSTLJU-UHFFFAOYSA-N
- SMILES： O(C)C(CC1CCCN1C)=O
Computed Properties
- Exact Mass: 157.11035
- Monoisotopic Mass: 157.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 147
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 0.6
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.54
2-Pyrrolidineaceticacid, 1-methyl-, methyl ester (9CI) Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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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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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
51856-76-9 (2-Pyrrolidineaceticacid, 1-methyl-, methyl ester (9CI)) Related Products
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