Cas no 168253-01-8 (1-Pyrrolidinecarbonylchloride, 2,5-dimethyl-, (2R,5R)-)
168253-01-8 structure
Product Name:1-Pyrrolidinecarbonylchloride, 2,5-dimethyl-, (2R,5R)-
CAS No:168253-01-8
MF:C7H12ClNO
MW:161.629281044006
CID:111082
PubChem ID:45081357
Update Time:2025-04-18
1-Pyrrolidinecarbonylchloride, 2,5-dimethyl-, (2R,5R)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Pyrrolidinecarbonylchloride, 2,5-dimethyl-, (2R,5R)-
- (2R,5R)-2,5-dimethylpyrrolidine-1-carbonyl chloride
- 1-Pyrrolidinecarbonyl chloride, 2,5-dimethyl-, (2R,5R)- (9CI)
- SCHEMBL3054043
- DTXSID30664538
- 168253-01-8
-
- Inchi： 1S/C7H12ClNO/c1-5-3-4-6(2)9(5)7(8)10/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
- InChI Key： UWSQEHVMGKICDS-PHDIDXHHSA-N
- SMILES： ClC(N1[C@H](C)CC[C@H]1C)=O
Computed Properties
- Exact Mass: 161.06086
- Monoisotopic Mass: 161.061
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 139
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.3A^2
- XLogP3: 2.1
Experimental Properties
- PSA: 20.31
1-Pyrrolidinecarbonylchloride, 2,5-dimethyl-, (2R,5R)- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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